data_16444 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16444 _Entry.Title ; NMR Chemical Shifts of GB1-SC35 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-06 _Entry.Accession_date 2009-08-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jonathan Clayton . C. . 16444 2 Benjamin Goult . T. . 16444 3 Lu-Yun Lian . . . 16444 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Liverpool' . 16444 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16444 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 668 16444 '15N chemical shifts' 155 16444 '1H chemical shifts' 1028 16444 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2009-08-06 update BMRB 'update entry citation' 16444 1 . . 2010-10-07 2009-08-06 original author 'original release' 16444 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16444 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20703835 _Citation.Full_citation . _Citation.Title 'The (1)H, (13)C and (15)N backbone and side-chain assignment of the RRM domain of SC35, a regulator of pre-mRNA splicing.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7 _Citation.Page_last 10 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jonathan Clayton . C. . 16444 1 2 Marie Phelan . . . 16444 1 3 Benjamin Goult . T. . 16444 1 4 Guillaume Hautbergue . M. . 16444 1 5 Stuart Wilson . A. . 16444 1 6 Lu-Yun Lian . . . 16444 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16444 _Assembly.ID 1 _Assembly.Name SC35 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SC35 1 $SC35 A . yes native no no . . . 16444 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SC35 _Entity.Sf_category entity _Entity.Sf_framecode SC35 _Entity.Entry_ID 16444 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SC35 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSHH HHHHMDVEGMTSLKVDNLTY RTSPDTLRRVFEKYGRVGDV YIPRDRYTKESRGFAFVRFH DKRDAEDAMDAMDGAVLDGR ELRVQMARYGRPPDSHHS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-65 represent a Protein GB1 solubility tag plus a hexa-His tag for purification.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17705 . SRSF2_RRM . . . . . 58.86 135 100.00 100.00 3.07e-59 . . . . 16444 1 2 no BMRB 17706 . SRSF2_RRM . . . . . 58.86 135 100.00 100.00 3.07e-59 . . . . 16444 1 3 no BMRB 17707 . SRSF2_RRM . . . . . 58.86 135 100.00 100.00 3.07e-59 . . . . 16444 1 4 no PDB 2KN4 . "The Structure Of The Rrm Domain Of Sc35" . . . . . 100.00 158 100.00 100.00 1.25e-111 . . . . 16444 1 5 no PDB 2LEA . "Solution Structure Of Human Srsf2 (Sc35) Rrm" . . . . . 58.86 135 100.00 100.00 3.07e-59 . . . . 16444 1 6 no PDB 2LEB . "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uccagu-3'" . . . . . 58.86 135 100.00 100.00 3.07e-59 . . . . 16444 1 7 no PDB 2LEC . "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uggagu-3'" . . . . . 58.86 135 100.00 100.00 3.07e-59 . . . . 16444 1 8 no DBJ BAC03903 . "unnamed protein product [Homo sapiens]" . . . . . 53.80 201 98.82 98.82 3.16e-54 . . . . 16444 1 9 no DBJ BAC36346 . "unnamed protein product [Mus musculus]" . . . . . 58.86 254 100.00 100.00 2.99e-60 . . . . 16444 1 10 no DBJ BAC39610 . "unnamed protein product [Mus musculus]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 11 no DBJ BAC40111 . "unnamed protein product [Mus musculus]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 12 no DBJ BAD74033 . "arginine/serine-rich 2 splicing factor [Pan troglodytes verus]" . . . . . 58.86 221 100.00 100.00 1.26e-61 . . . . 16444 1 13 no EMBL CAA44306 . "PR 264 [Gallus gallus]" . . . . . 58.86 221 100.00 100.00 5.66e-62 . . . . 16444 1 14 no EMBL CAA44307 . "PR 264 [Homo sapiens]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 15 no EMBL CAA53383 . "PR264/SC35 [Homo sapiens]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 16 no EMBL CAA67134 . "PR264/SC35 [Mus musculus]" . . . . . 58.86 121 100.00 100.00 1.02e-58 . . . . 16444 1 17 no EMBL CAJ82901 . "splicing factor, arginine/serine-rich 2 [Xenopus (Silurana) tropicalis]" . . . . . 58.23 220 98.91 100.00 9.49e-61 . . . . 16444 1 18 no GB AAA60306 . "splicing factor [Homo sapiens]" . . . . . 58.86 221 98.92 98.92 1.87e-60 . . . . 16444 1 19 no GB AAC71000 . "splicing factor SC35 [Mus musculus]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 20 no GB AAH00339 . "SFRS2 protein [Homo sapiens]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 21 no GB AAH01303 . "SFRS2 protein [Homo sapiens]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 22 no GB AAH05493 . "Sfrs2 protein [Mus musculus]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 23 no PIR A42701 . "splicing factor SFRS2 - human" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 24 no PRF 1805195A . "RNA-binding protein PR264 [Gallus gallus]" . . . . . 58.86 221 100.00 100.00 5.66e-62 . . . . 16444 1 25 no PRF 1805195B . "RNA-binding protein PR264" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 26 no REF NP_001001305 . "serine/arginine-rich splicing factor 2 [Gallus gallus]" . . . . . 58.86 221 100.00 100.00 5.66e-62 . . . . 16444 1 27 no REF NP_001009720 . "serine/arginine-rich splicing factor 2 [Rattus norvegicus]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 28 no REF NP_001029290 . "serine/arginine-rich splicing factor 2 [Pan troglodytes]" . . . . . 58.86 221 100.00 100.00 1.26e-61 . . . . 16444 1 29 no REF NP_001029490 . "serine/arginine-rich splicing factor 2 [Bos taurus]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 30 no REF NP_001070697 . "serine/arginine-rich splicing factor 2 [Sus scrofa]" . . . . . 58.86 221 100.00 100.00 8.74e-62 . . . . 16444 1 31 no SP P30352 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" . . . . . 58.86 221 100.00 100.00 5.66e-62 . . . . 16444 1 32 no SP Q01130 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 33 no SP Q06A98 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" . . . . . 58.86 221 100.00 100.00 8.74e-62 . . . . 16444 1 34 no SP Q3MHR5 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 35 no SP Q5R1W5 . "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" . . . . . 58.86 221 100.00 100.00 1.26e-61 . . . . 16444 1 36 no TPG DAA18198 . "TPA: splicing factor, arginine/serine-rich 2 [Bos taurus]" . . . . . 58.86 221 100.00 100.00 9.53e-62 . . . . 16444 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16444 1 2 . GLN . 16444 1 3 . TYR . 16444 1 4 . LYS . 16444 1 5 . LEU . 16444 1 6 . ILE . 16444 1 7 . LEU . 16444 1 8 . ASN . 16444 1 9 . GLY . 16444 1 10 . LYS . 16444 1 11 . THR . 16444 1 12 . LEU . 16444 1 13 . LYS . 16444 1 14 . GLY . 16444 1 15 . GLU . 16444 1 16 . THR . 16444 1 17 . THR . 16444 1 18 . THR . 16444 1 19 . GLU . 16444 1 20 . ALA . 16444 1 21 . VAL . 16444 1 22 . ASP . 16444 1 23 . ALA . 16444 1 24 . ALA . 16444 1 25 . THR . 16444 1 26 . ALA . 16444 1 27 . GLU . 16444 1 28 . LYS . 16444 1 29 . VAL . 16444 1 30 . PHE . 16444 1 31 . LYS . 16444 1 32 . GLN . 16444 1 33 . TYR . 16444 1 34 . ALA . 16444 1 35 . ASN . 16444 1 36 . ASP . 16444 1 37 . ASN . 16444 1 38 . GLY . 16444 1 39 . VAL . 16444 1 40 . ASP . 16444 1 41 . GLY . 16444 1 42 . GLU . 16444 1 43 . TRP . 16444 1 44 . THR . 16444 1 45 . TYR . 16444 1 46 . ASP . 16444 1 47 . ASP . 16444 1 48 . ALA . 16444 1 49 . THR . 16444 1 50 . LYS . 16444 1 51 . THR . 16444 1 52 . PHE . 16444 1 53 . THR . 16444 1 54 . VAL . 16444 1 55 . THR . 16444 1 56 . GLU . 16444 1 57 . GLY . 16444 1 58 . SER . 16444 1 59 . HIS . 16444 1 60 . HIS . 16444 1 61 . HIS . 16444 1 62 . HIS . 16444 1 63 . HIS . 16444 1 64 . HIS . 16444 1 65 . MET . 16444 1 66 . ASP . 16444 1 67 . VAL . 16444 1 68 . GLU . 16444 1 69 . GLY . 16444 1 70 . MET . 16444 1 71 . THR . 16444 1 72 . SER . 16444 1 73 . LEU . 16444 1 74 . LYS . 16444 1 75 . VAL . 16444 1 76 . ASP . 16444 1 77 . ASN . 16444 1 78 . LEU . 16444 1 79 . THR . 16444 1 80 . TYR . 16444 1 81 . ARG . 16444 1 82 . THR . 16444 1 83 . SER . 16444 1 84 . PRO . 16444 1 85 . ASP . 16444 1 86 . THR . 16444 1 87 . LEU . 16444 1 88 . ARG . 16444 1 89 . ARG . 16444 1 90 . VAL . 16444 1 91 . PHE . 16444 1 92 . GLU . 16444 1 93 . LYS . 16444 1 94 . TYR . 16444 1 95 . GLY . 16444 1 96 . ARG . 16444 1 97 . VAL . 16444 1 98 . GLY . 16444 1 99 . ASP . 16444 1 100 . VAL . 16444 1 101 . TYR . 16444 1 102 . ILE . 16444 1 103 . PRO . 16444 1 104 . ARG . 16444 1 105 . ASP . 16444 1 106 . ARG . 16444 1 107 . TYR . 16444 1 108 . THR . 16444 1 109 . LYS . 16444 1 110 . GLU . 16444 1 111 . SER . 16444 1 112 . ARG . 16444 1 113 . GLY . 16444 1 114 . PHE . 16444 1 115 . ALA . 16444 1 116 . PHE . 16444 1 117 . VAL . 16444 1 118 . ARG . 16444 1 119 . PHE . 16444 1 120 . HIS . 16444 1 121 . ASP . 16444 1 122 . LYS . 16444 1 123 . ARG . 16444 1 124 . ASP . 16444 1 125 . ALA . 16444 1 126 . GLU . 16444 1 127 . ASP . 16444 1 128 . ALA . 16444 1 129 . MET . 16444 1 130 . ASP . 16444 1 131 . ALA . 16444 1 132 . MET . 16444 1 133 . ASP . 16444 1 134 . GLY . 16444 1 135 . ALA . 16444 1 136 . VAL . 16444 1 137 . LEU . 16444 1 138 . ASP . 16444 1 139 . GLY . 16444 1 140 . ARG . 16444 1 141 . GLU . 16444 1 142 . LEU . 16444 1 143 . ARG . 16444 1 144 . VAL . 16444 1 145 . GLN . 16444 1 146 . MET . 16444 1 147 . ALA . 16444 1 148 . ARG . 16444 1 149 . TYR . 16444 1 150 . GLY . 16444 1 151 . ARG . 16444 1 152 . PRO . 16444 1 153 . PRO . 16444 1 154 . ASP . 16444 1 155 . SER . 16444 1 156 . HIS . 16444 1 157 . HIS . 16444 1 158 . SER . 16444 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16444 1 . GLN 2 2 16444 1 . TYR 3 3 16444 1 . LYS 4 4 16444 1 . LEU 5 5 16444 1 . ILE 6 6 16444 1 . LEU 7 7 16444 1 . ASN 8 8 16444 1 . GLY 9 9 16444 1 . LYS 10 10 16444 1 . THR 11 11 16444 1 . LEU 12 12 16444 1 . LYS 13 13 16444 1 . GLY 14 14 16444 1 . GLU 15 15 16444 1 . THR 16 16 16444 1 . THR 17 17 16444 1 . THR 18 18 16444 1 . GLU 19 19 16444 1 . ALA 20 20 16444 1 . VAL 21 21 16444 1 . ASP 22 22 16444 1 . ALA 23 23 16444 1 . ALA 24 24 16444 1 . THR 25 25 16444 1 . ALA 26 26 16444 1 . GLU 27 27 16444 1 . LYS 28 28 16444 1 . VAL 29 29 16444 1 . PHE 30 30 16444 1 . LYS 31 31 16444 1 . GLN 32 32 16444 1 . TYR 33 33 16444 1 . ALA 34 34 16444 1 . ASN 35 35 16444 1 . ASP 36 36 16444 1 . ASN 37 37 16444 1 . GLY 38 38 16444 1 . VAL 39 39 16444 1 . ASP 40 40 16444 1 . GLY 41 41 16444 1 . GLU 42 42 16444 1 . TRP 43 43 16444 1 . THR 44 44 16444 1 . TYR 45 45 16444 1 . ASP 46 46 16444 1 . ASP 47 47 16444 1 . ALA 48 48 16444 1 . THR 49 49 16444 1 . LYS 50 50 16444 1 . THR 51 51 16444 1 . PHE 52 52 16444 1 . THR 53 53 16444 1 . VAL 54 54 16444 1 . THR 55 55 16444 1 . GLU 56 56 16444 1 . GLY 57 57 16444 1 . SER 58 58 16444 1 . HIS 59 59 16444 1 . HIS 60 60 16444 1 . HIS 61 61 16444 1 . HIS 62 62 16444 1 . HIS 63 63 16444 1 . HIS 64 64 16444 1 . MET 65 65 16444 1 . ASP 66 66 16444 1 . VAL 67 67 16444 1 . GLU 68 68 16444 1 . GLY 69 69 16444 1 . MET 70 70 16444 1 . THR 71 71 16444 1 . SER 72 72 16444 1 . LEU 73 73 16444 1 . LYS 74 74 16444 1 . VAL 75 75 16444 1 . ASP 76 76 16444 1 . ASN 77 77 16444 1 . LEU 78 78 16444 1 . THR 79 79 16444 1 . TYR 80 80 16444 1 . ARG 81 81 16444 1 . THR 82 82 16444 1 . SER 83 83 16444 1 . PRO 84 84 16444 1 . ASP 85 85 16444 1 . THR 86 86 16444 1 . LEU 87 87 16444 1 . ARG 88 88 16444 1 . ARG 89 89 16444 1 . VAL 90 90 16444 1 . PHE 91 91 16444 1 . GLU 92 92 16444 1 . LYS 93 93 16444 1 . TYR 94 94 16444 1 . GLY 95 95 16444 1 . ARG 96 96 16444 1 . VAL 97 97 16444 1 . GLY 98 98 16444 1 . ASP 99 99 16444 1 . VAL 100 100 16444 1 . TYR 101 101 16444 1 . ILE 102 102 16444 1 . PRO 103 103 16444 1 . ARG 104 104 16444 1 . ASP 105 105 16444 1 . ARG 106 106 16444 1 . TYR 107 107 16444 1 . THR 108 108 16444 1 . LYS 109 109 16444 1 . GLU 110 110 16444 1 . SER 111 111 16444 1 . ARG 112 112 16444 1 . GLY 113 113 16444 1 . PHE 114 114 16444 1 . ALA 115 115 16444 1 . PHE 116 116 16444 1 . VAL 117 117 16444 1 . ARG 118 118 16444 1 . PHE 119 119 16444 1 . HIS 120 120 16444 1 . ASP 121 121 16444 1 . LYS 122 122 16444 1 . ARG 123 123 16444 1 . ASP 124 124 16444 1 . ALA 125 125 16444 1 . GLU 126 126 16444 1 . ASP 127 127 16444 1 . ALA 128 128 16444 1 . MET 129 129 16444 1 . ASP 130 130 16444 1 . ALA 131 131 16444 1 . MET 132 132 16444 1 . ASP 133 133 16444 1 . GLY 134 134 16444 1 . ALA 135 135 16444 1 . VAL 136 136 16444 1 . LEU 137 137 16444 1 . ASP 138 138 16444 1 . GLY 139 139 16444 1 . ARG 140 140 16444 1 . GLU 141 141 16444 1 . LEU 142 142 16444 1 . ARG 143 143 16444 1 . VAL 144 144 16444 1 . GLN 145 145 16444 1 . MET 146 146 16444 1 . ALA 147 147 16444 1 . ARG 148 148 16444 1 . TYR 149 149 16444 1 . GLY 150 150 16444 1 . ARG 151 151 16444 1 . PRO 152 152 16444 1 . PRO 153 153 16444 1 . ASP 154 154 16444 1 . SER 155 155 16444 1 . HIS 156 156 16444 1 . HIS 157 157 16444 1 . SER 158 158 16444 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16444 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SC35 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16444 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16444 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SC35 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET24b . . . . . . 16444 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_cn_H2O _Sample.Sf_category sample _Sample.Sf_framecode cn_H2O _Sample.Entry_ID 16444 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SC35 '[U-100% 13C; U-100% 15N]' . . 1 $SC35 . . 0.5 . . mM . . . . 16444 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16444 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16444 1 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16444 1 stop_ save_ save_cn_D2O _Sample.Sf_category sample _Sample.Sf_framecode cn_D2O _Sample.Entry_ID 16444 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SC35 '[U-100% 13C; U-100% 15N]' . . 1 $SC35 . . 0.5 . . mM . . . . 16444 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16444 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16444 2 stop_ save_ save_n_H2O _Sample.Sf_category sample _Sample.Sf_framecode n_H2O _Sample.Entry_ID 16444 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SC35 '[U-100% 15N]' . . 1 $SC35 . . 0.5 . . mM . . . . 16444 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16444 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16444 3 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16444 3 stop_ save_ save_un_D2O _Sample.Sf_category sample _Sample.Sf_framecode un_D2O _Sample.Entry_ID 16444 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SC35 'natural abundance' . . 1 $SC35 . . 0.5 . . mM . . . . 16444 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16444 4 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16444 4 stop_ save_ save_un_H2O _Sample.Sf_category sample _Sample.Sf_framecode un_H2O _Sample.Entry_ID 16444 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SC35 'natural abundance' . . 1 $SC35 . . 0.5 . . mM . . . . 16444 5 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16444 5 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16444 5 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16444 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16444 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 16444 1 pH 6.8 . pH 16444 1 pressure 1 . atm 16444 1 temperature 305 . K 16444 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16444 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16444 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16444 1 processing 16444 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 16444 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version 1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16444 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16444 2 'data analysis' 16444 2 'peak picking' 16444 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16444 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16444 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16444 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'with cryoprobe' . . 16444 1 2 spectrometer_2 Bruker Avance . 600 'with cryoprobe' . . 16444 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16444 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $cn_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16444 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 4 '3D HNCO' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 5 '3D HNCA' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 6 '3D HNCACB' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 9 '3D HBHANH' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $cn_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16444 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $un_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16444 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $un_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16444 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $n_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $cn_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 16 '3D HN(CA)CO' no . . . . . . . . . . 1 $cn_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16444 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16444 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16444 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16444 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16444 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16444 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16444 1 2 '2D 1H-13C HSQC' . . . 16444 1 3 '3D CBCA(CO)NH' . . . 16444 1 4 '3D HNCO' . . . 16444 1 5 '3D HNCA' . . . 16444 1 6 '3D HNCACB' . . . 16444 1 7 '3D HBHA(CO)NH' . . . 16444 1 8 '3D HN(CO)CA' . . . 16444 1 9 '3D HBHANH' . . . 16444 1 16 '3D HN(CA)CO' . . . 16444 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.189 0.02 . 1 . . . . 1 MET HA . 16444 1 2 . 1 1 1 1 MET HB2 H 1 2.102 0.02 . 1 . . . . 1 MET HB2 . 16444 1 3 . 1 1 1 1 MET HB3 H 1 2.231 0.02 . 1 . . . . 1 MET HB3 . 16444 1 4 . 1 1 1 1 MET HE1 H 1 1.981 0.02 . 1 . . . . 1 MET HE1 . 16444 1 5 . 1 1 1 1 MET HE2 H 1 1.981 0.02 . 1 . . . . 1 MET HE2 . 16444 1 6 . 1 1 1 1 MET HE3 H 1 1.981 0.02 . 1 . . . . 1 MET HE3 . 16444 1 7 . 1 1 1 1 MET HG2 H 1 2.729 0.02 . 1 . . . . 1 MET HG2 . 16444 1 8 . 1 1 1 1 MET HG3 H 1 2.679 0.02 . 1 . . . . 1 MET HG3 . 16444 1 9 . 1 1 1 1 MET C C 13 170.121 0.2 . 1 . . . . 1 MET C . 16444 1 10 . 1 1 1 1 MET CA C 13 54.809 0.2 . 1 . . . . 1 MET CA . 16444 1 11 . 1 1 1 1 MET CB C 13 32.863 0.2 . 1 . . . . 1 MET CB . 16444 1 12 . 1 1 1 1 MET CE C 13 16.946 0.2 . 1 . . . . 1 MET CE . 16444 1 13 . 1 1 1 1 MET CG C 13 29.559 0.2 . 1 . . . . 1 MET CG . 16444 1 14 . 1 1 2 2 GLN H H 1 8.347 0.02 . 1 . . . . 2 GLN H . 16444 1 15 . 1 1 2 2 GLN HA H 1 4.999 0.02 . 1 . . . . 2 GLN HA . 16444 1 16 . 1 1 2 2 GLN HB2 H 1 1.996 0.02 . 1 . . . . 2 GLN HB2 . 16444 1 17 . 1 1 2 2 GLN HB3 H 1 2.046 0.02 . 1 . . . . 2 GLN HB3 . 16444 1 18 . 1 1 2 2 GLN HE21 H 1 6.890 0.02 . 1 . . . . 2 GLN HE21 . 16444 1 19 . 1 1 2 2 GLN HE22 H 1 7.809 0.02 . 1 . . . . 2 GLN HE22 . 16444 1 20 . 1 1 2 2 GLN HG2 H 1 2.377 0.02 . 1 . . . . 2 GLN HG2 . 16444 1 21 . 1 1 2 2 GLN HG3 H 1 2.141 0.02 . 1 . . . . 2 GLN HG3 . 16444 1 22 . 1 1 2 2 GLN C C 13 173.907 0.2 . 1 . . . . 2 GLN C . 16444 1 23 . 1 1 2 2 GLN CA C 13 55.959 0.2 . 1 . . . . 2 GLN CA . 16444 1 24 . 1 1 2 2 GLN CB C 13 30.582 0.2 . 1 . . . . 2 GLN CB . 16444 1 25 . 1 1 2 2 GLN CG C 13 35.099 0.2 . 1 . . . . 2 GLN CG . 16444 1 26 . 1 1 2 2 GLN N N 15 123.504 0.2 . 1 . . . . 2 GLN N . 16444 1 27 . 1 1 2 2 GLN NE2 N 15 112.312 0.2 . 1 . . . . 2 GLN NE2 . 16444 1 28 . 1 1 3 3 TYR H H 1 9.085 0.02 . 1 . . . . 3 TYR H . 16444 1 29 . 1 1 3 3 TYR HA H 1 5.381 0.02 . 1 . . . . 3 TYR HA . 16444 1 30 . 1 1 3 3 TYR HB2 H 1 2.765 0.02 . 1 . . . . 3 TYR HB2 . 16444 1 31 . 1 1 3 3 TYR HB3 H 1 3.416 0.02 . 1 . . . . 3 TYR HB3 . 16444 1 32 . 1 1 3 3 TYR HD1 H 1 7.162 0.02 . 3 . . . . 3 TYR HD1 . 16444 1 33 . 1 1 3 3 TYR HD2 H 1 7.162 0.02 . 3 . . . . 3 TYR HD2 . 16444 1 34 . 1 1 3 3 TYR HE1 H 1 6.923 0.02 . 3 . . . . 3 TYR HE1 . 16444 1 35 . 1 1 3 3 TYR HE2 H 1 6.923 0.02 . 3 . . . . 3 TYR HE2 . 16444 1 36 . 1 1 3 3 TYR C C 13 173.891 0.2 . 1 . . . . 3 TYR C . 16444 1 37 . 1 1 3 3 TYR CA C 13 57.281 0.2 . 1 . . . . 3 TYR CA . 16444 1 38 . 1 1 3 3 TYR CB C 13 43.678 0.2 . 1 . . . . 3 TYR CB . 16444 1 39 . 1 1 3 3 TYR CD1 C 13 133.788 0.2 . 3 . . . . 3 TYR CD1 . 16444 1 40 . 1 1 3 3 TYR CD2 C 13 133.788 0.2 . 3 . . . . 3 TYR CD2 . 16444 1 41 . 1 1 3 3 TYR CE1 C 13 117.773 0.2 . 3 . . . . 3 TYR CE1 . 16444 1 42 . 1 1 3 3 TYR CE2 C 13 117.773 0.2 . 3 . . . . 3 TYR CE2 . 16444 1 43 . 1 1 3 3 TYR N N 15 124.510 0.2 . 1 . . . . 3 TYR N . 16444 1 44 . 1 1 4 4 LYS H H 1 9.084 0.02 . 1 . . . . 4 LYS H . 16444 1 45 . 1 1 4 4 LYS HA H 1 5.246 0.02 . 1 . . . . 4 LYS HA . 16444 1 46 . 1 1 4 4 LYS HB2 H 1 1.907 0.02 . 1 . . . . 4 LYS HB2 . 16444 1 47 . 1 1 4 4 LYS HB3 H 1 2.028 0.02 . 1 . . . . 4 LYS HB3 . 16444 1 48 . 1 1 4 4 LYS HD2 H 1 1.633 0.02 . 1 . . . . 4 LYS HD2 . 16444 1 49 . 1 1 4 4 LYS HD3 H 1 1.649 0.02 . 1 . . . . 4 LYS HD3 . 16444 1 50 . 1 1 4 4 LYS HE2 H 1 2.778 0.02 . 1 . . . . 4 LYS HE2 . 16444 1 51 . 1 1 4 4 LYS HE3 H 1 2.860 0.02 . 1 . . . . 4 LYS HE3 . 16444 1 52 . 1 1 4 4 LYS HG2 H 1 1.358 0.02 . 1 . . . . 4 LYS HG2 . 16444 1 53 . 1 1 4 4 LYS HG3 H 1 1.476 0.02 . 1 . . . . 4 LYS HG3 . 16444 1 54 . 1 1 4 4 LYS C C 13 171.900 0.2 . 1 . . . . 4 LYS C . 16444 1 55 . 1 1 4 4 LYS CA C 13 55.155 0.2 . 1 . . . . 4 LYS CA . 16444 1 56 . 1 1 4 4 LYS CB C 13 36.059 0.2 . 1 . . . . 4 LYS CB . 16444 1 57 . 1 1 4 4 LYS CD C 13 29.001 0.2 . 1 . . . . 4 LYS CD . 16444 1 58 . 1 1 4 4 LYS CE C 13 41.818 0.2 . 1 . . . . 4 LYS CE . 16444 1 59 . 1 1 4 4 LYS CG C 13 25.548 0.2 . 1 . . . . 4 LYS CG . 16444 1 60 . 1 1 4 4 LYS N N 15 122.361 0.2 . 1 . . . . 4 LYS N . 16444 1 61 . 1 1 5 5 LEU H H 1 8.614 0.02 . 1 . . . . 5 LEU H . 16444 1 62 . 1 1 5 5 LEU HA H 1 4.969 0.02 . 1 . . . . 5 LEU HA . 16444 1 63 . 1 1 5 5 LEU HB2 H 1 -1.110 0.02 . 1 . . . . 5 LEU HB2 . 16444 1 64 . 1 1 5 5 LEU HB3 H 1 0.766 0.02 . 1 . . . . 5 LEU HB3 . 16444 1 65 . 1 1 5 5 LEU HD11 H 1 0.542 0.02 . 1 . . . . 5 LEU HD11 . 16444 1 66 . 1 1 5 5 LEU HD12 H 1 0.542 0.02 . 1 . . . . 5 LEU HD12 . 16444 1 67 . 1 1 5 5 LEU HD13 H 1 0.542 0.02 . 1 . . . . 5 LEU HD13 . 16444 1 68 . 1 1 5 5 LEU HD21 H 1 0.582 0.02 . 1 . . . . 5 LEU HD21 . 16444 1 69 . 1 1 5 5 LEU HD22 H 1 0.582 0.02 . 1 . . . . 5 LEU HD22 . 16444 1 70 . 1 1 5 5 LEU HD23 H 1 0.582 0.02 . 1 . . . . 5 LEU HD23 . 16444 1 71 . 1 1 5 5 LEU HG H 1 0.875 0.02 . 1 . . . . 5 LEU HG . 16444 1 72 . 1 1 5 5 LEU C C 13 173.662 0.2 . 1 . . . . 5 LEU C . 16444 1 73 . 1 1 5 5 LEU CA C 13 52.783 0.2 . 1 . . . . 5 LEU CA . 16444 1 74 . 1 1 5 5 LEU CB C 13 42.781 0.2 . 1 . . . . 5 LEU CB . 16444 1 75 . 1 1 5 5 LEU CD1 C 13 24.696 0.2 . 1 . . . . 5 LEU CD1 . 16444 1 76 . 1 1 5 5 LEU CD2 C 13 26.016 0.2 . 1 . . . . 5 LEU CD2 . 16444 1 77 . 1 1 5 5 LEU CG C 13 27.173 0.2 . 1 . . . . 5 LEU CG . 16444 1 78 . 1 1 5 5 LEU N N 15 126.503 0.2 . 1 . . . . 5 LEU N . 16444 1 79 . 1 1 6 6 ILE H H 1 9.063 0.02 . 1 . . . . 6 ILE H . 16444 1 80 . 1 1 6 6 ILE HA H 1 4.352 0.02 . 1 . . . . 6 ILE HA . 16444 1 81 . 1 1 6 6 ILE HB H 1 1.969 0.02 . 1 . . . . 6 ILE HB . 16444 1 82 . 1 1 6 6 ILE HD11 H 1 0.779 0.02 . 1 . . . . 6 ILE HD11 . 16444 1 83 . 1 1 6 6 ILE HD12 H 1 0.779 0.02 . 1 . . . . 6 ILE HD12 . 16444 1 84 . 1 1 6 6 ILE HD13 H 1 0.779 0.02 . 1 . . . . 6 ILE HD13 . 16444 1 85 . 1 1 6 6 ILE HG12 H 1 1.103 0.02 . 1 . . . . 6 ILE HG12 . 16444 1 86 . 1 1 6 6 ILE HG13 H 1 1.412 0.02 . 1 . . . . 6 ILE HG13 . 16444 1 87 . 1 1 6 6 ILE HG21 H 1 0.801 0.02 . 1 . . . . 6 ILE HG21 . 16444 1 88 . 1 1 6 6 ILE HG22 H 1 0.801 0.02 . 1 . . . . 6 ILE HG22 . 16444 1 89 . 1 1 6 6 ILE HG23 H 1 0.801 0.02 . 1 . . . . 6 ILE HG23 . 16444 1 90 . 1 1 6 6 ILE C C 13 173.724 0.2 . 1 . . . . 6 ILE C . 16444 1 91 . 1 1 6 6 ILE CA C 13 60.270 0.2 . 1 . . . . 6 ILE CA . 16444 1 92 . 1 1 6 6 ILE CB C 13 38.334 0.2 . 1 . . . . 6 ILE CB . 16444 1 93 . 1 1 6 6 ILE CD1 C 13 12.720 0.2 . 1 . . . . 6 ILE CD1 . 16444 1 94 . 1 1 6 6 ILE CG1 C 13 27.365 0.2 . 1 . . . . 6 ILE CG1 . 16444 1 95 . 1 1 6 6 ILE CG2 C 13 17.136 0.2 . 1 . . . . 6 ILE CG2 . 16444 1 96 . 1 1 6 6 ILE N N 15 126.291 0.2 . 1 . . . . 6 ILE N . 16444 1 97 . 1 1 7 7 LEU H H 1 8.685 0.02 . 1 . . . . 7 LEU H . 16444 1 98 . 1 1 7 7 LEU HA H 1 4.508 0.02 . 1 . . . . 7 LEU HA . 16444 1 99 . 1 1 7 7 LEU HB2 H 1 1.447 0.02 . 1 . . . . 7 LEU HB2 . 16444 1 100 . 1 1 7 7 LEU HB3 H 1 1.358 0.02 . 1 . . . . 7 LEU HB3 . 16444 1 101 . 1 1 7 7 LEU HD11 H 1 0.745 0.02 . 1 . . . . 7 LEU HD11 . 16444 1 102 . 1 1 7 7 LEU HD12 H 1 0.745 0.02 . 1 . . . . 7 LEU HD12 . 16444 1 103 . 1 1 7 7 LEU HD13 H 1 0.745 0.02 . 1 . . . . 7 LEU HD13 . 16444 1 104 . 1 1 7 7 LEU HD21 H 1 0.745 0.02 . 1 . . . . 7 LEU HD21 . 16444 1 105 . 1 1 7 7 LEU HD22 H 1 0.745 0.02 . 1 . . . . 7 LEU HD22 . 16444 1 106 . 1 1 7 7 LEU HD23 H 1 0.745 0.02 . 1 . . . . 7 LEU HD23 . 16444 1 107 . 1 1 7 7 LEU HG H 1 1.289 0.02 . 1 . . . . 7 LEU HG . 16444 1 108 . 1 1 7 7 LEU C C 13 173.811 0.2 . 1 . . . . 7 LEU C . 16444 1 109 . 1 1 7 7 LEU CA C 13 54.471 0.2 . 1 . . . . 7 LEU CA . 16444 1 110 . 1 1 7 7 LEU CB C 13 42.366 0.2 . 1 . . . . 7 LEU CB . 16444 1 111 . 1 1 7 7 LEU CD1 C 13 25.746 0.2 . 1 . . . . 7 LEU CD1 . 16444 1 112 . 1 1 7 7 LEU CD2 C 13 25.746 0.2 . 1 . . . . 7 LEU CD2 . 16444 1 113 . 1 1 7 7 LEU CG C 13 27.385 0.2 . 1 . . . . 7 LEU CG . 16444 1 114 . 1 1 7 7 LEU N N 15 125.714 0.2 . 1 . . . . 7 LEU N . 16444 1 115 . 1 1 8 8 ASN H H 1 8.811 0.02 . 1 . . . . 8 ASN H . 16444 1 116 . 1 1 8 8 ASN HA H 1 5.246 0.02 . 1 . . . . 8 ASN HA . 16444 1 117 . 1 1 8 8 ASN HB2 H 1 2.538 0.02 . 1 . . . . 8 ASN HB2 . 16444 1 118 . 1 1 8 8 ASN HB3 H 1 2.947 0.02 . 1 . . . . 8 ASN HB3 . 16444 1 119 . 1 1 8 8 ASN HD21 H 1 6.768 0.02 . 1 . . . . 8 ASN HD21 . 16444 1 120 . 1 1 8 8 ASN HD22 H 1 7.102 0.02 . 1 . . . . 8 ASN HD22 . 16444 1 121 . 1 1 8 8 ASN C C 13 174.400 0.2 . 1 . . . . 8 ASN C . 16444 1 122 . 1 1 8 8 ASN CA C 13 51.206 0.2 . 1 . . . . 8 ASN CA . 16444 1 123 . 1 1 8 8 ASN CB C 13 38.161 0.2 . 1 . . . . 8 ASN CB . 16444 1 124 . 1 1 8 8 ASN N N 15 125.445 0.2 . 1 . . . . 8 ASN N . 16444 1 125 . 1 1 8 8 ASN ND2 N 15 111.360 0.2 . 1 . . . . 8 ASN ND2 . 16444 1 126 . 1 1 9 9 GLY H H 1 7.923 0.02 . 1 . . . . 9 GLY H . 16444 1 127 . 1 1 9 9 GLY HA2 H 1 4.484 0.02 . 1 . . . . 9 GLY HA2 . 16444 1 128 . 1 1 9 9 GLY HA3 H 1 4.048 0.02 . 1 . . . . 9 GLY HA3 . 16444 1 129 . 1 1 9 9 GLY C C 13 172.391 0.2 . 1 . . . . 9 GLY C . 16444 1 130 . 1 1 9 9 GLY CA C 13 44.739 0.2 . 1 . . . . 9 GLY CA . 16444 1 131 . 1 1 9 9 GLY N N 15 109.908 0.2 . 1 . . . . 9 GLY N . 16444 1 132 . 1 1 10 10 LYS H H 1 9.205 0.02 . 1 . . . . 10 LYS H . 16444 1 133 . 1 1 10 10 LYS HA H 1 4.067 0.02 . 1 . . . . 10 LYS HA . 16444 1 134 . 1 1 10 10 LYS HB2 H 1 1.804 0.02 . 1 . . . . 10 LYS HB2 . 16444 1 135 . 1 1 10 10 LYS HB3 H 1 1.823 0.02 . 1 . . . . 10 LYS HB3 . 16444 1 136 . 1 1 10 10 LYS HD2 H 1 1.665 0.02 . 1 . . . . 10 LYS HD2 . 16444 1 137 . 1 1 10 10 LYS HD3 H 1 1.660 0.02 . 1 . . . . 10 LYS HD3 . 16444 1 138 . 1 1 10 10 LYS HE2 H 1 2.936 0.02 . 1 . . . . 10 LYS HE2 . 16444 1 139 . 1 1 10 10 LYS HE3 H 1 2.949 0.02 . 1 . . . . 10 LYS HE3 . 16444 1 140 . 1 1 10 10 LYS HG2 H 1 1.417 0.02 . 1 . . . . 10 LYS HG2 . 16444 1 141 . 1 1 10 10 LYS HG3 H 1 1.445 0.02 . 1 . . . . 10 LYS HG3 . 16444 1 142 . 1 1 10 10 LYS C C 13 177.675 0.2 . 1 . . . . 10 LYS C . 16444 1 143 . 1 1 10 10 LYS CA C 13 59.094 0.2 . 1 . . . . 10 LYS CA . 16444 1 144 . 1 1 10 10 LYS CB C 13 32.554 0.2 . 1 . . . . 10 LYS CB . 16444 1 145 . 1 1 10 10 LYS CD C 13 28.877 0.2 . 1 . . . . 10 LYS CD . 16444 1 146 . 1 1 10 10 LYS CE C 13 41.786 0.2 . 1 . . . . 10 LYS CE . 16444 1 147 . 1 1 10 10 LYS CG C 13 25.121 0.2 . 1 . . . . 10 LYS CG . 16444 1 148 . 1 1 10 10 LYS N N 15 121.184 0.2 . 1 . . . . 10 LYS N . 16444 1 149 . 1 1 11 11 THR H H 1 8.787 0.02 . 1 . . . . 11 THR H . 16444 1 150 . 1 1 11 11 THR HA H 1 4.365 0.02 . 1 . . . . 11 THR HA . 16444 1 151 . 1 1 11 11 THR HB H 1 4.232 0.02 . 1 . . . . 11 THR HB . 16444 1 152 . 1 1 11 11 THR HG21 H 1 1.139 0.02 . 1 . . . . 11 THR HG21 . 16444 1 153 . 1 1 11 11 THR HG22 H 1 1.139 0.02 . 1 . . . . 11 THR HG22 . 16444 1 154 . 1 1 11 11 THR HG23 H 1 1.139 0.02 . 1 . . . . 11 THR HG23 . 16444 1 155 . 1 1 11 11 THR C C 13 172.885 0.2 . 1 . . . . 11 THR C . 16444 1 156 . 1 1 11 11 THR CA C 13 61.971 0.2 . 1 . . . . 11 THR CA . 16444 1 157 . 1 1 11 11 THR CB C 13 69.630 0.2 . 1 . . . . 11 THR CB . 16444 1 158 . 1 1 11 11 THR CG2 C 13 21.847 0.2 . 1 . . . . 11 THR CG2 . 16444 1 159 . 1 1 11 11 THR N N 15 108.963 0.2 . 1 . . . . 11 THR N . 16444 1 160 . 1 1 12 12 LEU H H 1 7.309 0.02 . 1 . . . . 12 LEU H . 16444 1 161 . 1 1 12 12 LEU HA H 1 4.449 0.02 . 1 . . . . 12 LEU HA . 16444 1 162 . 1 1 12 12 LEU HB2 H 1 1.428 0.02 . 1 . . . . 12 LEU HB2 . 16444 1 163 . 1 1 12 12 LEU HB3 H 1 1.541 0.02 . 1 . . . . 12 LEU HB3 . 16444 1 164 . 1 1 12 12 LEU HD11 H 1 0.879 0.02 . 1 . . . . 12 LEU HD11 . 16444 1 165 . 1 1 12 12 LEU HD12 H 1 0.879 0.02 . 1 . . . . 12 LEU HD12 . 16444 1 166 . 1 1 12 12 LEU HD13 H 1 0.879 0.02 . 1 . . . . 12 LEU HD13 . 16444 1 167 . 1 1 12 12 LEU HD21 H 1 0.797 0.02 . 1 . . . . 12 LEU HD21 . 16444 1 168 . 1 1 12 12 LEU HD22 H 1 0.797 0.02 . 1 . . . . 12 LEU HD22 . 16444 1 169 . 1 1 12 12 LEU HD23 H 1 0.797 0.02 . 1 . . . . 12 LEU HD23 . 16444 1 170 . 1 1 12 12 LEU HG H 1 1.426 0.02 . 1 . . . . 12 LEU HG . 16444 1 171 . 1 1 12 12 LEU C C 13 172.492 0.2 . 1 . . . . 12 LEU C . 16444 1 172 . 1 1 12 12 LEU CA C 13 55.133 0.2 . 1 . . . . 12 LEU CA . 16444 1 173 . 1 1 12 12 LEU CB C 13 43.674 0.2 . 1 . . . . 12 LEU CB . 16444 1 174 . 1 1 12 12 LEU CD1 C 13 24.171 0.2 . 1 . . . . 12 LEU CD1 . 16444 1 175 . 1 1 12 12 LEU CD2 C 13 25.331 0.2 . 1 . . . . 12 LEU CD2 . 16444 1 176 . 1 1 12 12 LEU CG C 13 27.344 0.2 . 1 . . . . 12 LEU CG . 16444 1 177 . 1 1 12 12 LEU N N 15 124.683 0.2 . 1 . . . . 12 LEU N . 16444 1 178 . 1 1 13 13 LYS H H 1 8.085 0.02 . 1 . . . . 13 LYS H . 16444 1 179 . 1 1 13 13 LYS HA H 1 5.125 0.02 . 1 . . . . 13 LYS HA . 16444 1 180 . 1 1 13 13 LYS HB2 H 1 1.736 0.02 . 1 . . . . 13 LYS HB2 . 16444 1 181 . 1 1 13 13 LYS HB3 H 1 1.904 0.02 . 1 . . . . 13 LYS HB3 . 16444 1 182 . 1 1 13 13 LYS HD2 H 1 1.685 0.02 . 1 . . . . 13 LYS HD2 . 16444 1 183 . 1 1 13 13 LYS HD3 H 1 1.754 0.02 . 1 . . . . 13 LYS HD3 . 16444 1 184 . 1 1 13 13 LYS HE2 H 1 2.937 0.02 . 1 . . . . 13 LYS HE2 . 16444 1 185 . 1 1 13 13 LYS HE3 H 1 2.998 0.02 . 1 . . . . 13 LYS HE3 . 16444 1 186 . 1 1 13 13 LYS HG2 H 1 1.461 0.02 . 1 . . . . 13 LYS HG2 . 16444 1 187 . 1 1 13 13 LYS HG3 H 1 1.466 0.02 . 1 . . . . 13 LYS HG3 . 16444 1 188 . 1 1 13 13 LYS C C 13 175.349 0.2 . 1 . . . . 13 LYS C . 16444 1 189 . 1 1 13 13 LYS CA C 13 54.012 0.2 . 1 . . . . 13 LYS CA . 16444 1 190 . 1 1 13 13 LYS CB C 13 34.789 0.2 . 1 . . . . 13 LYS CB . 16444 1 191 . 1 1 13 13 LYS CD C 13 29.141 0.2 . 1 . . . . 13 LYS CD . 16444 1 192 . 1 1 13 13 LYS CE C 13 42.457 0.2 . 1 . . . . 13 LYS CE . 16444 1 193 . 1 1 13 13 LYS CG C 13 25.151 0.2 . 1 . . . . 13 LYS CG . 16444 1 194 . 1 1 13 13 LYS N N 15 123.832 0.2 . 1 . . . . 13 LYS N . 16444 1 195 . 1 1 14 14 GLY H H 1 8.394 0.02 . 1 . . . . 14 GLY H . 16444 1 196 . 1 1 14 14 GLY HA2 H 1 4.293 0.02 . 1 . . . . 14 GLY HA2 . 16444 1 197 . 1 1 14 14 GLY HA3 H 1 4.169 0.02 . 1 . . . . 14 GLY HA3 . 16444 1 198 . 1 1 14 14 GLY C C 13 170.370 0.2 . 1 . . . . 14 GLY C . 16444 1 199 . 1 1 14 14 GLY CA C 13 45.299 0.2 . 1 . . . . 14 GLY CA . 16444 1 200 . 1 1 14 14 GLY N N 15 109.568 0.2 . 1 . . . . 14 GLY N . 16444 1 201 . 1 1 15 15 GLU H H 1 8.355 0.02 . 1 . . . . 15 GLU H . 16444 1 202 . 1 1 15 15 GLU HA H 1 5.614 0.02 . 1 . . . . 15 GLU HA . 16444 1 203 . 1 1 15 15 GLU HB2 H 1 1.934 0.02 . 1 . . . . 15 GLU HB2 . 16444 1 204 . 1 1 15 15 GLU HB3 H 1 2.021 0.02 . 1 . . . . 15 GLU HB3 . 16444 1 205 . 1 1 15 15 GLU HG2 H 1 2.145 0.02 . 1 . . . . 15 GLU HG2 . 16444 1 206 . 1 1 15 15 GLU HG3 H 1 2.145 0.02 . 1 . . . . 15 GLU HG3 . 16444 1 207 . 1 1 15 15 GLU C C 13 174.376 0.2 . 1 . . . . 15 GLU C . 16444 1 208 . 1 1 15 15 GLU CA C 13 54.637 0.2 . 1 . . . . 15 GLU CA . 16444 1 209 . 1 1 15 15 GLU CB C 13 33.956 0.2 . 1 . . . . 15 GLU CB . 16444 1 210 . 1 1 15 15 GLU CG C 13 36.195 0.2 . 1 . . . . 15 GLU CG . 16444 1 211 . 1 1 15 15 GLU N N 15 118.750 0.2 . 1 . . . . 15 GLU N . 16444 1 212 . 1 1 16 16 THR H H 1 8.761 0.02 . 1 . . . . 16 THR H . 16444 1 213 . 1 1 16 16 THR HA H 1 4.738 0.02 . 1 . . . . 16 THR HA . 16444 1 214 . 1 1 16 16 THR HB H 1 3.907 0.02 . 1 . . . . 16 THR HB . 16444 1 215 . 1 1 16 16 THR HG21 H 1 0.435 0.02 . 1 . . . . 16 THR HG21 . 16444 1 216 . 1 1 16 16 THR HG22 H 1 0.435 0.02 . 1 . . . . 16 THR HG22 . 16444 1 217 . 1 1 16 16 THR HG23 H 1 0.435 0.02 . 1 . . . . 16 THR HG23 . 16444 1 218 . 1 1 16 16 THR C C 13 171.040 0.2 . 1 . . . . 16 THR C . 16444 1 219 . 1 1 16 16 THR CA C 13 60.661 0.2 . 1 . . . . 16 THR CA . 16444 1 220 . 1 1 16 16 THR CB C 13 69.531 0.2 . 1 . . . . 16 THR CB . 16444 1 221 . 1 1 16 16 THR CG2 C 13 19.167 0.2 . 1 . . . . 16 THR CG2 . 16444 1 222 . 1 1 16 16 THR N N 15 116.034 0.2 . 1 . . . . 16 THR N . 16444 1 223 . 1 1 17 17 THR H H 1 8.070 0.02 . 1 . . . . 17 THR H . 16444 1 224 . 1 1 17 17 THR HA H 1 5.825 0.02 . 1 . . . . 17 THR HA . 16444 1 225 . 1 1 17 17 THR HB H 1 4.307 0.02 . 1 . . . . 17 THR HB . 16444 1 226 . 1 1 17 17 THR HG21 H 1 1.198 0.02 . 1 . . . . 17 THR HG21 . 16444 1 227 . 1 1 17 17 THR HG22 H 1 1.198 0.02 . 1 . . . . 17 THR HG22 . 16444 1 228 . 1 1 17 17 THR HG23 H 1 1.198 0.02 . 1 . . . . 17 THR HG23 . 16444 1 229 . 1 1 17 17 THR C C 13 173.127 0.2 . 1 . . . . 17 THR C . 16444 1 230 . 1 1 17 17 THR CA C 13 59.871 0.2 . 1 . . . . 17 THR CA . 16444 1 231 . 1 1 17 17 THR CB C 13 73.291 0.2 . 1 . . . . 17 THR CB . 16444 1 232 . 1 1 17 17 THR CG2 C 13 21.466 0.2 . 1 . . . . 17 THR CG2 . 16444 1 233 . 1 1 17 17 THR N N 15 112.094 0.2 . 1 . . . . 17 THR N . 16444 1 234 . 1 1 18 18 THR H H 1 8.975 0.02 . 1 . . . . 18 THR H . 16444 1 235 . 1 1 18 18 THR HA H 1 4.687 0.02 . 1 . . . . 18 THR HA . 16444 1 236 . 1 1 18 18 THR HB H 1 3.859 0.02 . 1 . . . . 18 THR HB . 16444 1 237 . 1 1 18 18 THR HG21 H 1 0.500 0.02 . 1 . . . . 18 THR HG21 . 16444 1 238 . 1 1 18 18 THR HG22 H 1 0.500 0.02 . 1 . . . . 18 THR HG22 . 16444 1 239 . 1 1 18 18 THR HG23 H 1 0.500 0.02 . 1 . . . . 18 THR HG23 . 16444 1 240 . 1 1 18 18 THR C C 13 169.762 0.2 . 1 . . . . 18 THR C . 16444 1 241 . 1 1 18 18 THR CA C 13 62.152 0.2 . 1 . . . . 18 THR CA . 16444 1 242 . 1 1 18 18 THR CB C 13 70.314 0.2 . 1 . . . . 18 THR CB . 16444 1 243 . 1 1 18 18 THR CG2 C 13 19.149 0.2 . 1 . . . . 18 THR CG2 . 16444 1 244 . 1 1 18 18 THR N N 15 114.759 0.2 . 1 . . . . 18 THR N . 16444 1 245 . 1 1 19 19 GLU H H 1 7.928 0.02 . 1 . . . . 19 GLU H . 16444 1 246 . 1 1 19 19 GLU HA H 1 5.196 0.02 . 1 . . . . 19 GLU HA . 16444 1 247 . 1 1 19 19 GLU HB2 H 1 1.953 0.02 . 1 . . . . 19 GLU HB2 . 16444 1 248 . 1 1 19 19 GLU HB3 H 1 1.953 0.02 . 1 . . . . 19 GLU HB3 . 16444 1 249 . 1 1 19 19 GLU HG2 H 1 2.060 0.02 . 1 . . . . 19 GLU HG2 . 16444 1 250 . 1 1 19 19 GLU HG3 H 1 2.297 0.02 . 1 . . . . 19 GLU HG3 . 16444 1 251 . 1 1 19 19 GLU C C 13 174.849 0.2 . 1 . . . . 19 GLU C . 16444 1 252 . 1 1 19 19 GLU CA C 13 54.413 0.2 . 1 . . . . 19 GLU CA . 16444 1 253 . 1 1 19 19 GLU CB C 13 30.471 0.2 . 1 . . . . 19 GLU CB . 16444 1 254 . 1 1 19 19 GLU CG C 13 35.806 0.2 . 1 . . . . 19 GLU CG . 16444 1 255 . 1 1 19 19 GLU N N 15 126.084 0.2 . 1 . . . . 19 GLU N . 16444 1 256 . 1 1 20 20 ALA H H 1 9.296 0.02 . 1 . . . . 20 ALA H . 16444 1 257 . 1 1 20 20 ALA HA H 1 4.937 0.02 . 1 . . . . 20 ALA HA . 16444 1 258 . 1 1 20 20 ALA HB1 H 1 1.349 0.02 . 1 . . . . 20 ALA HB1 . 16444 1 259 . 1 1 20 20 ALA HB2 H 1 1.349 0.02 . 1 . . . . 20 ALA HB2 . 16444 1 260 . 1 1 20 20 ALA HB3 H 1 1.349 0.02 . 1 . . . . 20 ALA HB3 . 16444 1 261 . 1 1 20 20 ALA C C 13 176.601 0.2 . 1 . . . . 20 ALA C . 16444 1 262 . 1 1 20 20 ALA CA C 13 50.821 0.2 . 1 . . . . 20 ALA CA . 16444 1 263 . 1 1 20 20 ALA CB C 13 23.738 0.2 . 1 . . . . 20 ALA CB . 16444 1 264 . 1 1 20 20 ALA N N 15 127.333 0.2 . 1 . . . . 20 ALA N . 16444 1 265 . 1 1 21 21 VAL H H 1 8.462 0.02 . 1 . . . . 21 VAL H . 16444 1 266 . 1 1 21 21 VAL HA H 1 4.130 0.02 . 1 . . . . 21 VAL HA . 16444 1 267 . 1 1 21 21 VAL HB H 1 2.220 0.02 . 1 . . . . 21 VAL HB . 16444 1 268 . 1 1 21 21 VAL HG11 H 1 1.008 0.02 . 1 . . . . 21 VAL HG11 . 16444 1 269 . 1 1 21 21 VAL HG12 H 1 1.008 0.02 . 1 . . . . 21 VAL HG12 . 16444 1 270 . 1 1 21 21 VAL HG13 H 1 1.008 0.02 . 1 . . . . 21 VAL HG13 . 16444 1 271 . 1 1 21 21 VAL HG21 H 1 1.009 0.02 . 1 . . . . 21 VAL HG21 . 16444 1 272 . 1 1 21 21 VAL HG22 H 1 1.009 0.02 . 1 . . . . 21 VAL HG22 . 16444 1 273 . 1 1 21 21 VAL HG23 H 1 1.009 0.02 . 1 . . . . 21 VAL HG23 . 16444 1 274 . 1 1 21 21 VAL C C 13 174.069 0.2 . 1 . . . . 21 VAL C . 16444 1 275 . 1 1 21 21 VAL CA C 13 63.559 0.2 . 1 . . . . 21 VAL CA . 16444 1 276 . 1 1 21 21 VAL CB C 13 32.141 0.2 . 1 . . . . 21 VAL CB . 16444 1 277 . 1 1 21 21 VAL CG1 C 13 20.950 0.2 . 1 . . . . 21 VAL CG1 . 16444 1 278 . 1 1 21 21 VAL CG2 C 13 20.115 0.2 . 1 . . . . 21 VAL CG2 . 16444 1 279 . 1 1 21 21 VAL N N 15 115.865 0.2 . 1 . . . . 21 VAL N . 16444 1 280 . 1 1 22 22 ASP H H 1 7.340 0.02 . 1 . . . . 22 ASP H . 16444 1 281 . 1 1 22 22 ASP HA H 1 4.769 0.02 . 1 . . . . 22 ASP HA . 16444 1 282 . 1 1 22 22 ASP HB2 H 1 2.988 0.02 . 1 . . . . 22 ASP HB2 . 16444 1 283 . 1 1 22 22 ASP HB3 H 1 3.053 0.02 . 1 . . . . 22 ASP HB3 . 16444 1 284 . 1 1 22 22 ASP C C 13 173.826 0.2 . 1 . . . . 22 ASP C . 16444 1 285 . 1 1 22 22 ASP CA C 13 52.524 0.2 . 1 . . . . 22 ASP CA . 16444 1 286 . 1 1 22 22 ASP CB C 13 42.440 0.2 . 1 . . . . 22 ASP CB . 16444 1 287 . 1 1 22 22 ASP N N 15 115.289 0.2 . 1 . . . . 22 ASP N . 16444 1 288 . 1 1 23 23 ALA H H 1 8.276 0.02 . 1 . . . . 23 ALA H . 16444 1 289 . 1 1 23 23 ALA HA H 1 3.337 0.02 . 1 . . . . 23 ALA HA . 16444 1 290 . 1 1 23 23 ALA HB1 H 1 1.190 0.02 . 1 . . . . 23 ALA HB1 . 16444 1 291 . 1 1 23 23 ALA HB2 H 1 1.190 0.02 . 1 . . . . 23 ALA HB2 . 16444 1 292 . 1 1 23 23 ALA HB3 H 1 1.190 0.02 . 1 . . . . 23 ALA HB3 . 16444 1 293 . 1 1 23 23 ALA C C 13 178.262 0.2 . 1 . . . . 23 ALA C . 16444 1 294 . 1 1 23 23 ALA CA C 13 54.580 0.2 . 1 . . . . 23 ALA CA . 16444 1 295 . 1 1 23 23 ALA CB C 13 17.493 0.2 . 1 . . . . 23 ALA CB . 16444 1 296 . 1 1 23 23 ALA N N 15 121.561 0.2 . 1 . . . . 23 ALA N . 16444 1 297 . 1 1 24 24 ALA H H 1 8.015 0.02 . 1 . . . . 24 ALA H . 16444 1 298 . 1 1 24 24 ALA HA H 1 3.971 0.02 . 1 . . . . 24 ALA HA . 16444 1 299 . 1 1 24 24 ALA HB1 H 1 1.307 0.02 . 1 . . . . 24 ALA HB1 . 16444 1 300 . 1 1 24 24 ALA HB2 H 1 1.307 0.02 . 1 . . . . 24 ALA HB2 . 16444 1 301 . 1 1 24 24 ALA HB3 H 1 1.307 0.02 . 1 . . . . 24 ALA HB3 . 16444 1 302 . 1 1 24 24 ALA C C 13 179.874 0.2 . 1 . . . . 24 ALA C . 16444 1 303 . 1 1 24 24 ALA CA C 13 54.761 0.2 . 1 . . . . 24 ALA CA . 16444 1 304 . 1 1 24 24 ALA CB C 13 17.894 0.2 . 1 . . . . 24 ALA CB . 16444 1 305 . 1 1 24 24 ALA N N 15 120.637 0.2 . 1 . . . . 24 ALA N . 16444 1 306 . 1 1 25 25 THR H H 1 8.274 0.02 . 1 . . . . 25 THR H . 16444 1 307 . 1 1 25 25 THR HA H 1 3.710 0.02 . 1 . . . . 25 THR HA . 16444 1 308 . 1 1 25 25 THR HB H 1 4.034 0.02 . 1 . . . . 25 THR HB . 16444 1 309 . 1 1 25 25 THR HG21 H 1 1.232 0.02 . 1 . . . . 25 THR HG21 . 16444 1 310 . 1 1 25 25 THR HG22 H 1 1.232 0.02 . 1 . . . . 25 THR HG22 . 16444 1 311 . 1 1 25 25 THR HG23 H 1 1.232 0.02 . 1 . . . . 25 THR HG23 . 16444 1 312 . 1 1 25 25 THR C C 13 175.103 0.2 . 1 . . . . 25 THR C . 16444 1 313 . 1 1 25 25 THR CA C 13 66.909 0.2 . 1 . . . . 25 THR CA . 16444 1 314 . 1 1 25 25 THR CB C 13 67.893 0.2 . 1 . . . . 25 THR CB . 16444 1 315 . 1 1 25 25 THR CG2 C 13 21.058 0.2 . 1 . . . . 25 THR CG2 . 16444 1 316 . 1 1 25 25 THR N N 15 116.441 0.2 . 1 . . . . 25 THR N . 16444 1 317 . 1 1 26 26 ALA H H 1 7.158 0.02 . 1 . . . . 26 ALA H . 16444 1 318 . 1 1 26 26 ALA HA H 1 3.092 0.02 . 1 . . . . 26 ALA HA . 16444 1 319 . 1 1 26 26 ALA HB1 H 1 0.531 0.02 . 1 . . . . 26 ALA HB1 . 16444 1 320 . 1 1 26 26 ALA HB2 H 1 0.531 0.02 . 1 . . . . 26 ALA HB2 . 16444 1 321 . 1 1 26 26 ALA HB3 H 1 0.531 0.02 . 1 . . . . 26 ALA HB3 . 16444 1 322 . 1 1 26 26 ALA C C 13 176.116 0.2 . 1 . . . . 26 ALA C . 16444 1 323 . 1 1 26 26 ALA CA C 13 54.910 0.2 . 1 . . . . 26 ALA CA . 16444 1 324 . 1 1 26 26 ALA CB C 13 17.536 0.2 . 1 . . . . 26 ALA CB . 16444 1 325 . 1 1 26 26 ALA N N 15 123.675 0.2 . 1 . . . . 26 ALA N . 16444 1 326 . 1 1 27 27 GLU H H 1 8.305 0.02 . 1 . . . . 27 GLU H . 16444 1 327 . 1 1 27 27 GLU HA H 1 2.661 0.02 . 1 . . . . 27 GLU HA . 16444 1 328 . 1 1 27 27 GLU HB2 H 1 1.850 0.02 . 1 . . . . 27 GLU HB2 . 16444 1 329 . 1 1 27 27 GLU HB3 H 1 1.971 0.02 . 1 . . . . 27 GLU HB3 . 16444 1 330 . 1 1 27 27 GLU HG2 H 1 1.623 0.02 . 1 . . . . 27 GLU HG2 . 16444 1 331 . 1 1 27 27 GLU HG3 H 1 1.623 0.02 . 1 . . . . 27 GLU HG3 . 16444 1 332 . 1 1 27 27 GLU C C 13 176.320 0.2 . 1 . . . . 27 GLU C . 16444 1 333 . 1 1 27 27 GLU CA C 13 59.737 0.2 . 1 . . . . 27 GLU CA . 16444 1 334 . 1 1 27 27 GLU CB C 13 29.418 0.2 . 1 . . . . 27 GLU CB . 16444 1 335 . 1 1 27 27 GLU CG C 13 35.948 0.2 . 1 . . . . 27 GLU CG . 16444 1 336 . 1 1 27 27 GLU N N 15 116.704 0.2 . 1 . . . . 27 GLU N . 16444 1 337 . 1 1 28 28 LYS H H 1 6.965 0.02 . 1 . . . . 28 LYS H . 16444 1 338 . 1 1 28 28 LYS HA H 1 3.736 0.02 . 1 . . . . 28 LYS HA . 16444 1 339 . 1 1 28 28 LYS HB2 H 1 1.842 0.02 . 1 . . . . 28 LYS HB2 . 16444 1 340 . 1 1 28 28 LYS HB3 H 1 1.842 0.02 . 1 . . . . 28 LYS HB3 . 16444 1 341 . 1 1 28 28 LYS HD2 H 1 1.606 0.02 . 1 . . . . 28 LYS HD2 . 16444 1 342 . 1 1 28 28 LYS HD3 H 1 1.606 0.02 . 1 . . . . 28 LYS HD3 . 16444 1 343 . 1 1 28 28 LYS HE2 H 1 2.889 0.02 . 1 . . . . 28 LYS HE2 . 16444 1 344 . 1 1 28 28 LYS HE3 H 1 2.889 0.02 . 1 . . . . 28 LYS HE3 . 16444 1 345 . 1 1 28 28 LYS HG2 H 1 1.338 0.02 . 1 . . . . 28 LYS HG2 . 16444 1 346 . 1 1 28 28 LYS HG3 H 1 1.549 0.02 . 1 . . . . 28 LYS HG3 . 16444 1 347 . 1 1 28 28 LYS C C 13 178.972 0.2 . 1 . . . . 28 LYS C . 16444 1 348 . 1 1 28 28 LYS CA C 13 59.744 0.2 . 1 . . . . 28 LYS CA . 16444 1 349 . 1 1 28 28 LYS CB C 13 32.368 0.2 . 1 . . . . 28 LYS CB . 16444 1 350 . 1 1 28 28 LYS CD C 13 29.225 0.2 . 1 . . . . 28 LYS CD . 16444 1 351 . 1 1 28 28 LYS CE C 13 41.840 0.2 . 1 . . . . 28 LYS CE . 16444 1 352 . 1 1 28 28 LYS CG C 13 25.084 0.2 . 1 . . . . 28 LYS CG . 16444 1 353 . 1 1 28 28 LYS N N 15 116.755 0.2 . 1 . . . . 28 LYS N . 16444 1 354 . 1 1 29 29 VAL H H 1 7.340 0.02 . 1 . . . . 29 VAL H . 16444 1 355 . 1 1 29 29 VAL HA H 1 3.626 0.02 . 1 . . . . 29 VAL HA . 16444 1 356 . 1 1 29 29 VAL HB H 1 1.757 0.02 . 1 . . . . 29 VAL HB . 16444 1 357 . 1 1 29 29 VAL HG11 H 1 0.799 0.02 . 1 . . . . 29 VAL HG11 . 16444 1 358 . 1 1 29 29 VAL HG12 H 1 0.799 0.02 . 1 . . . . 29 VAL HG12 . 16444 1 359 . 1 1 29 29 VAL HG13 H 1 0.799 0.02 . 1 . . . . 29 VAL HG13 . 16444 1 360 . 1 1 29 29 VAL HG21 H 1 0.908 0.02 . 1 . . . . 29 VAL HG21 . 16444 1 361 . 1 1 29 29 VAL HG22 H 1 0.908 0.02 . 1 . . . . 29 VAL HG22 . 16444 1 362 . 1 1 29 29 VAL HG23 H 1 0.908 0.02 . 1 . . . . 29 VAL HG23 . 16444 1 363 . 1 1 29 29 VAL C C 13 178.859 0.2 . 1 . . . . 29 VAL C . 16444 1 364 . 1 1 29 29 VAL CA C 13 66.018 0.2 . 1 . . . . 29 VAL CA . 16444 1 365 . 1 1 29 29 VAL CB C 13 31.593 0.2 . 1 . . . . 29 VAL CB . 16444 1 366 . 1 1 29 29 VAL CG1 C 13 20.347 0.2 . 1 . . . . 29 VAL CG1 . 16444 1 367 . 1 1 29 29 VAL CG2 C 13 21.773 0.2 . 1 . . . . 29 VAL CG2 . 16444 1 368 . 1 1 29 29 VAL N N 15 120.600 0.2 . 1 . . . . 29 VAL N . 16444 1 369 . 1 1 30 30 PHE H H 1 8.514 0.02 . 1 . . . . 30 PHE H . 16444 1 370 . 1 1 30 30 PHE HA H 1 4.795 0.02 . 1 . . . . 30 PHE HA . 16444 1 371 . 1 1 30 30 PHE HB2 H 1 2.861 0.02 . 1 . . . . 30 PHE HB2 . 16444 1 372 . 1 1 30 30 PHE HB3 H 1 3.356 0.02 . 1 . . . . 30 PHE HB3 . 16444 1 373 . 1 1 30 30 PHE HE1 H 1 7.087 0.02 . 3 . . . . 30 PHE HE1 . 16444 1 374 . 1 1 30 30 PHE HE2 H 1 7.087 0.02 . 3 . . . . 30 PHE HE2 . 16444 1 375 . 1 1 30 30 PHE HZ H 1 7.204 0.02 . 1 . . . . 30 PHE HZ . 16444 1 376 . 1 1 30 30 PHE C C 13 177.389 0.2 . 1 . . . . 30 PHE C . 16444 1 377 . 1 1 30 30 PHE CA C 13 56.624 0.2 . 1 . . . . 30 PHE CA . 16444 1 378 . 1 1 30 30 PHE CB C 13 37.470 0.2 . 1 . . . . 30 PHE CB . 16444 1 379 . 1 1 30 30 PHE CE1 C 13 130.538 0.2 . 3 . . . . 30 PHE CE1 . 16444 1 380 . 1 1 30 30 PHE CE2 C 13 130.538 0.2 . 3 . . . . 30 PHE CE2 . 16444 1 381 . 1 1 30 30 PHE CZ C 13 130.602 0.2 . 1 . . . . 30 PHE CZ . 16444 1 382 . 1 1 30 30 PHE N N 15 120.676 0.2 . 1 . . . . 30 PHE N . 16444 1 383 . 1 1 31 31 LYS H H 1 9.093 0.02 . 1 . . . . 31 LYS H . 16444 1 384 . 1 1 31 31 LYS HA H 1 4.181 0.02 . 1 . . . . 31 LYS HA . 16444 1 385 . 1 1 31 31 LYS HB2 H 1 1.568 0.02 . 1 . . . . 31 LYS HB2 . 16444 1 386 . 1 1 31 31 LYS HB3 H 1 1.693 0.02 . 1 . . . . 31 LYS HB3 . 16444 1 387 . 1 1 31 31 LYS HD2 H 1 1.066 0.02 . 1 . . . . 31 LYS HD2 . 16444 1 388 . 1 1 31 31 LYS HD3 H 1 1.130 0.02 . 1 . . . . 31 LYS HD3 . 16444 1 389 . 1 1 31 31 LYS HE2 H 1 1.694 0.02 . 1 . . . . 31 LYS HE2 . 16444 1 390 . 1 1 31 31 LYS HE3 H 1 1.917 0.02 . 1 . . . . 31 LYS HE3 . 16444 1 391 . 1 1 31 31 LYS HG2 H 1 0.503 0.02 . 1 . . . . 31 LYS HG2 . 16444 1 392 . 1 1 31 31 LYS HG3 H 1 0.833 0.02 . 1 . . . . 31 LYS HG3 . 16444 1 393 . 1 1 31 31 LYS C C 13 178.569 0.2 . 1 . . . . 31 LYS C . 16444 1 394 . 1 1 31 31 LYS CA C 13 59.931 0.2 . 1 . . . . 31 LYS CA . 16444 1 395 . 1 1 31 31 LYS CB C 13 31.663 0.2 . 1 . . . . 31 LYS CB . 16444 1 396 . 1 1 31 31 LYS CD C 13 28.797 0.2 . 1 . . . . 31 LYS CD . 16444 1 397 . 1 1 31 31 LYS CE C 13 41.188 0.2 . 1 . . . . 31 LYS CE . 16444 1 398 . 1 1 31 31 LYS CG C 13 25.786 0.2 . 1 . . . . 31 LYS CG . 16444 1 399 . 1 1 31 31 LYS N N 15 122.889 0.2 . 1 . . . . 31 LYS N . 16444 1 400 . 1 1 32 32 GLN H H 1 7.451 0.02 . 1 . . . . 32 GLN H . 16444 1 401 . 1 1 32 32 GLN HA H 1 4.063 0.02 . 1 . . . . 32 GLN HA . 16444 1 402 . 1 1 32 32 GLN HB2 H 1 2.230 0.02 . 1 . . . . 32 GLN HB2 . 16444 1 403 . 1 1 32 32 GLN HB3 H 1 2.269 0.02 . 1 . . . . 32 GLN HB3 . 16444 1 404 . 1 1 32 32 GLN HE21 H 1 6.876 0.02 . 1 . . . . 32 GLN HE21 . 16444 1 405 . 1 1 32 32 GLN HE22 H 1 7.906 0.02 . 1 . . . . 32 GLN HE22 . 16444 1 406 . 1 1 32 32 GLN HG2 H 1 2.431 0.02 . 1 . . . . 32 GLN HG2 . 16444 1 407 . 1 1 32 32 GLN HG3 H 1 2.468 0.02 . 1 . . . . 32 GLN HG3 . 16444 1 408 . 1 1 32 32 GLN C C 13 176.112 0.2 . 1 . . . . 32 GLN C . 16444 1 409 . 1 1 32 32 GLN CA C 13 58.799 0.2 . 1 . . . . 32 GLN CA . 16444 1 410 . 1 1 32 32 GLN CB C 13 28.272 0.2 . 1 . . . . 32 GLN CB . 16444 1 411 . 1 1 32 32 GLN CG C 13 33.503 0.2 . 1 . . . . 32 GLN CG . 16444 1 412 . 1 1 32 32 GLN N N 15 119.649 0.2 . 1 . . . . 32 GLN N . 16444 1 413 . 1 1 32 32 GLN NE2 N 15 114.972 0.2 . 1 . . . . 32 GLN NE2 . 16444 1 414 . 1 1 33 33 TYR H H 1 8.252 0.02 . 1 . . . . 33 TYR H . 16444 1 415 . 1 1 33 33 TYR HA H 1 4.277 0.02 . 1 . . . . 33 TYR HA . 16444 1 416 . 1 1 33 33 TYR HB2 H 1 3.320 0.02 . 1 . . . . 33 TYR HB2 . 16444 1 417 . 1 1 33 33 TYR HB3 H 1 3.320 0.02 . 1 . . . . 33 TYR HB3 . 16444 1 418 . 1 1 33 33 TYR HD1 H 1 6.996 0.02 . 3 . . . . 33 TYR HD1 . 16444 1 419 . 1 1 33 33 TYR HD2 H 1 6.996 0.02 . 3 . . . . 33 TYR HD2 . 16444 1 420 . 1 1 33 33 TYR HE1 H 1 6.745 0.02 . 3 . . . . 33 TYR HE1 . 16444 1 421 . 1 1 33 33 TYR HE2 H 1 6.745 0.02 . 3 . . . . 33 TYR HE2 . 16444 1 422 . 1 1 33 33 TYR C C 13 178.002 0.2 . 1 . . . . 33 TYR C . 16444 1 423 . 1 1 33 33 TYR CA C 13 61.885 0.2 . 1 . . . . 33 TYR CA . 16444 1 424 . 1 1 33 33 TYR CB C 13 38.687 0.2 . 1 . . . . 33 TYR CB . 16444 1 425 . 1 1 33 33 TYR CD1 C 13 132.711 0.2 . 3 . . . . 33 TYR CD1 . 16444 1 426 . 1 1 33 33 TYR CD2 C 13 132.711 0.2 . 3 . . . . 33 TYR CD2 . 16444 1 427 . 1 1 33 33 TYR CE1 C 13 118.287 0.2 . 3 . . . . 33 TYR CE1 . 16444 1 428 . 1 1 33 33 TYR CE2 C 13 118.287 0.2 . 3 . . . . 33 TYR CE2 . 16444 1 429 . 1 1 33 33 TYR N N 15 121.056 0.2 . 1 . . . . 33 TYR N . 16444 1 430 . 1 1 34 34 ALA H H 1 9.184 0.02 . 1 . . . . 34 ALA H . 16444 1 431 . 1 1 34 34 ALA HA H 1 3.816 0.02 . 1 . . . . 34 ALA HA . 16444 1 432 . 1 1 34 34 ALA HB1 H 1 1.855 0.02 . 1 . . . . 34 ALA HB1 . 16444 1 433 . 1 1 34 34 ALA HB2 H 1 1.855 0.02 . 1 . . . . 34 ALA HB2 . 16444 1 434 . 1 1 34 34 ALA HB3 H 1 1.855 0.02 . 1 . . . . 34 ALA HB3 . 16444 1 435 . 1 1 34 34 ALA C C 13 178.370 0.2 . 1 . . . . 34 ALA C . 16444 1 436 . 1 1 34 34 ALA CA C 13 56.264 0.2 . 1 . . . . 34 ALA CA . 16444 1 437 . 1 1 34 34 ALA CB C 13 17.935 0.2 . 1 . . . . 34 ALA CB . 16444 1 438 . 1 1 34 34 ALA N N 15 122.627 0.2 . 1 . . . . 34 ALA N . 16444 1 439 . 1 1 35 35 ASN H H 1 8.273 0.02 . 1 . . . . 35 ASN H . 16444 1 440 . 1 1 35 35 ASN HA H 1 4.451 0.02 . 1 . . . . 35 ASN HA . 16444 1 441 . 1 1 35 35 ASN HB2 H 1 2.982 0.02 . 1 . . . . 35 ASN HB2 . 16444 1 442 . 1 1 35 35 ASN HB3 H 1 2.936 0.02 . 1 . . . . 35 ASN HB3 . 16444 1 443 . 1 1 35 35 ASN HD21 H 1 6.973 0.02 . 1 . . . . 35 ASN HD21 . 16444 1 444 . 1 1 35 35 ASN HD22 H 1 7.614 0.02 . 1 . . . . 35 ASN HD22 . 16444 1 445 . 1 1 35 35 ASN C C 13 178.360 0.2 . 1 . . . . 35 ASN C . 16444 1 446 . 1 1 35 35 ASN CA C 13 57.067 0.2 . 1 . . . . 35 ASN CA . 16444 1 447 . 1 1 35 35 ASN CB C 13 38.822 0.2 . 1 . . . . 35 ASN CB . 16444 1 448 . 1 1 35 35 ASN N N 15 117.715 0.2 . 1 . . . . 35 ASN N . 16444 1 449 . 1 1 35 35 ASN ND2 N 15 112.208 0.2 . 1 . . . . 35 ASN ND2 . 16444 1 450 . 1 1 36 36 ASP H H 1 8.924 0.02 . 1 . . . . 36 ASP H . 16444 1 451 . 1 1 36 36 ASP HA H 1 4.396 0.02 . 1 . . . . 36 ASP HA . 16444 1 452 . 1 1 36 36 ASP HB2 H 1 2.575 0.02 . 1 . . . . 36 ASP HB2 . 16444 1 453 . 1 1 36 36 ASP HB3 H 1 2.744 0.02 . 1 . . . . 36 ASP HB3 . 16444 1 454 . 1 1 36 36 ASP C C 13 176.125 0.2 . 1 . . . . 36 ASP C . 16444 1 455 . 1 1 36 36 ASP CA C 13 57.125 0.2 . 1 . . . . 36 ASP CA . 16444 1 456 . 1 1 36 36 ASP CB C 13 40.089 0.2 . 1 . . . . 36 ASP CB . 16444 1 457 . 1 1 36 36 ASP N N 15 121.545 0.2 . 1 . . . . 36 ASP N . 16444 1 458 . 1 1 37 37 ASN H H 1 7.391 0.02 . 1 . . . . 37 ASN H . 16444 1 459 . 1 1 37 37 ASN HA H 1 4.613 0.02 . 1 . . . . 37 ASN HA . 16444 1 460 . 1 1 37 37 ASN HB2 H 1 2.696 0.02 . 1 . . . . 37 ASN HB2 . 16444 1 461 . 1 1 37 37 ASN HB3 H 1 2.131 0.02 . 1 . . . . 37 ASN HB3 . 16444 1 462 . 1 1 37 37 ASN HD21 H 1 6.648 0.02 . 1 . . . . 37 ASN HD21 . 16444 1 463 . 1 1 37 37 ASN HD22 H 1 6.241 0.02 . 1 . . . . 37 ASN HD22 . 16444 1 464 . 1 1 37 37 ASN C C 13 173.103 0.2 . 1 . . . . 37 ASN C . 16444 1 465 . 1 1 37 37 ASN CA C 13 53.709 0.2 . 1 . . . . 37 ASN CA . 16444 1 466 . 1 1 37 37 ASN CB C 13 40.199 0.2 . 1 . . . . 37 ASN CB . 16444 1 467 . 1 1 37 37 ASN N N 15 115.296 0.2 . 1 . . . . 37 ASN N . 16444 1 468 . 1 1 37 37 ASN ND2 N 15 114.699 0.2 . 1 . . . . 37 ASN ND2 . 16444 1 469 . 1 1 38 38 GLY H H 1 7.818 0.02 . 1 . . . . 38 GLY H . 16444 1 470 . 1 1 38 38 GLY HA2 H 1 3.870 0.02 . 1 . . . . 38 GLY HA2 . 16444 1 471 . 1 1 38 38 GLY HA3 H 1 3.926 0.02 . 1 . . . . 38 GLY HA3 . 16444 1 472 . 1 1 38 38 GLY C C 13 173.176 0.2 . 1 . . . . 38 GLY C . 16444 1 473 . 1 1 38 38 GLY CA C 13 46.837 0.2 . 1 . . . . 38 GLY CA . 16444 1 474 . 1 1 38 38 GLY N N 15 108.219 0.2 . 1 . . . . 38 GLY N . 16444 1 475 . 1 1 39 39 VAL H H 1 8.127 0.02 . 1 . . . . 39 VAL H . 16444 1 476 . 1 1 39 39 VAL HA H 1 4.162 0.02 . 1 . . . . 39 VAL HA . 16444 1 477 . 1 1 39 39 VAL HB H 1 1.768 0.02 . 1 . . . . 39 VAL HB . 16444 1 478 . 1 1 39 39 VAL HG11 H 1 0.834 0.02 . 1 . . . . 39 VAL HG11 . 16444 1 479 . 1 1 39 39 VAL HG12 H 1 0.834 0.02 . 1 . . . . 39 VAL HG12 . 16444 1 480 . 1 1 39 39 VAL HG13 H 1 0.834 0.02 . 1 . . . . 39 VAL HG13 . 16444 1 481 . 1 1 39 39 VAL HG21 H 1 0.664 0.02 . 1 . . . . 39 VAL HG21 . 16444 1 482 . 1 1 39 39 VAL HG22 H 1 0.664 0.02 . 1 . . . . 39 VAL HG22 . 16444 1 483 . 1 1 39 39 VAL HG23 H 1 0.664 0.02 . 1 . . . . 39 VAL HG23 . 16444 1 484 . 1 1 39 39 VAL C C 13 172.716 0.2 . 1 . . . . 39 VAL C . 16444 1 485 . 1 1 39 39 VAL CA C 13 61.998 0.2 . 1 . . . . 39 VAL CA . 16444 1 486 . 1 1 39 39 VAL CB C 13 33.164 0.2 . 1 . . . . 39 VAL CB . 16444 1 487 . 1 1 39 39 VAL CG1 C 13 21.717 0.2 . 1 . . . . 39 VAL CG1 . 16444 1 488 . 1 1 39 39 VAL CG2 C 13 21.573 0.2 . 1 . . . . 39 VAL CG2 . 16444 1 489 . 1 1 39 39 VAL N N 15 120.818 0.2 . 1 . . . . 39 VAL N . 16444 1 490 . 1 1 40 40 ASP H H 1 8.414 0.02 . 1 . . . . 40 ASP H . 16444 1 491 . 1 1 40 40 ASP HA H 1 4.891 0.02 . 1 . . . . 40 ASP HA . 16444 1 492 . 1 1 40 40 ASP HB2 H 1 2.612 0.02 . 1 . . . . 40 ASP HB2 . 16444 1 493 . 1 1 40 40 ASP HB3 H 1 2.697 0.02 . 1 . . . . 40 ASP HB3 . 16444 1 494 . 1 1 40 40 ASP C C 13 173.703 0.2 . 1 . . . . 40 ASP C . 16444 1 495 . 1 1 40 40 ASP CA C 13 52.456 0.2 . 1 . . . . 40 ASP CA . 16444 1 496 . 1 1 40 40 ASP CB C 13 43.334 0.2 . 1 . . . . 40 ASP CB . 16444 1 497 . 1 1 40 40 ASP N N 15 127.228 0.2 . 1 . . . . 40 ASP N . 16444 1 498 . 1 1 41 41 GLY H H 1 7.964 0.02 . 1 . . . . 41 GLY H . 16444 1 499 . 1 1 41 41 GLY HA2 H 1 4.178 0.02 . 1 . . . . 41 GLY HA2 . 16444 1 500 . 1 1 41 41 GLY HA3 H 1 3.779 0.02 . 1 . . . . 41 GLY HA3 . 16444 1 501 . 1 1 41 41 GLY C C 13 170.813 0.2 . 1 . . . . 41 GLY C . 16444 1 502 . 1 1 41 41 GLY CA C 13 45.483 0.2 . 1 . . . . 41 GLY CA . 16444 1 503 . 1 1 41 41 GLY N N 15 107.563 0.2 . 1 . . . . 41 GLY N . 16444 1 504 . 1 1 42 42 GLU H H 1 8.029 0.02 . 1 . . . . 42 GLU H . 16444 1 505 . 1 1 42 42 GLU HA H 1 4.705 0.02 . 1 . . . . 42 GLU HA . 16444 1 506 . 1 1 42 42 GLU HB2 H 1 1.939 0.02 . 1 . . . . 42 GLU HB2 . 16444 1 507 . 1 1 42 42 GLU HB3 H 1 2.055 0.02 . 1 . . . . 42 GLU HB3 . 16444 1 508 . 1 1 42 42 GLU HG2 H 1 2.236 0.02 . 1 . . . . 42 GLU HG2 . 16444 1 509 . 1 1 42 42 GLU HG3 H 1 2.342 0.02 . 1 . . . . 42 GLU HG3 . 16444 1 510 . 1 1 42 42 GLU C C 13 175.863 0.2 . 1 . . . . 42 GLU C . 16444 1 511 . 1 1 42 42 GLU CA C 13 55.657 0.2 . 1 . . . . 42 GLU CA . 16444 1 512 . 1 1 42 42 GLU CB C 13 31.671 0.2 . 1 . . . . 42 GLU CB . 16444 1 513 . 1 1 42 42 GLU CG C 13 36.276 0.2 . 1 . . . . 42 GLU CG . 16444 1 514 . 1 1 42 42 GLU N N 15 120.774 0.2 . 1 . . . . 42 GLU N . 16444 1 515 . 1 1 43 43 TRP H H 1 9.276 0.02 . 1 . . . . 43 TRP H . 16444 1 516 . 1 1 43 43 TRP HA H 1 5.377 0.02 . 1 . . . . 43 TRP HA . 16444 1 517 . 1 1 43 43 TRP HB2 H 1 3.168 0.02 . 1 . . . . 43 TRP HB2 . 16444 1 518 . 1 1 43 43 TRP HB3 H 1 3.378 0.02 . 1 . . . . 43 TRP HB3 . 16444 1 519 . 1 1 43 43 TRP HD1 H 1 7.570 0.02 . 1 . . . . 43 TRP HD1 . 16444 1 520 . 1 1 43 43 TRP HE1 H 1 10.488 0.02 . 1 . . . . 43 TRP HE1 . 16444 1 521 . 1 1 43 43 TRP HE3 H 1 7.627 0.02 . 1 . . . . 43 TRP HE3 . 16444 1 522 . 1 1 43 43 TRP HH2 H 1 6.768 0.02 . 1 . . . . 43 TRP HH2 . 16444 1 523 . 1 1 43 43 TRP HZ2 H 1 7.348 0.02 . 1 . . . . 43 TRP HZ2 . 16444 1 524 . 1 1 43 43 TRP HZ3 H 1 6.644 0.02 . 1 . . . . 43 TRP HZ3 . 16444 1 525 . 1 1 43 43 TRP C C 13 175.977 0.2 . 1 . . . . 43 TRP C . 16444 1 526 . 1 1 43 43 TRP CA C 13 57.756 0.2 . 1 . . . . 43 TRP CA . 16444 1 527 . 1 1 43 43 TRP CB C 13 30.601 0.2 . 1 . . . . 43 TRP CB . 16444 1 528 . 1 1 43 43 TRP CD1 C 13 127.122 0.2 . 1 . . . . 43 TRP CD1 . 16444 1 529 . 1 1 43 43 TRP CE3 C 13 119.637 0.2 . 1 . . . . 43 TRP CE3 . 16444 1 530 . 1 1 43 43 TRP CH2 C 13 123.223 0.2 . 1 . . . . 43 TRP CH2 . 16444 1 531 . 1 1 43 43 TRP CZ2 C 13 114.463 0.2 . 1 . . . . 43 TRP CZ2 . 16444 1 532 . 1 1 43 43 TRP CZ3 C 13 120.853 0.2 . 1 . . . . 43 TRP CZ3 . 16444 1 533 . 1 1 43 43 TRP N N 15 128.177 0.2 . 1 . . . . 43 TRP N . 16444 1 534 . 1 1 43 43 TRP NE1 N 15 130.679 0.2 . 1 . . . . 43 TRP NE1 . 16444 1 535 . 1 1 44 44 THR H H 1 9.236 0.02 . 1 . . . . 44 THR H . 16444 1 536 . 1 1 44 44 THR HA H 1 4.843 0.02 . 1 . . . . 44 THR HA . 16444 1 537 . 1 1 44 44 THR HB H 1 4.236 0.02 . 1 . . . . 44 THR HB . 16444 1 538 . 1 1 44 44 THR HG21 H 1 1.197 0.02 . 1 . . . . 44 THR HG21 . 16444 1 539 . 1 1 44 44 THR HG22 H 1 1.197 0.02 . 1 . . . . 44 THR HG22 . 16444 1 540 . 1 1 44 44 THR HG23 H 1 1.197 0.02 . 1 . . . . 44 THR HG23 . 16444 1 541 . 1 1 44 44 THR C C 13 171.712 0.2 . 1 . . . . 44 THR C . 16444 1 542 . 1 1 44 44 THR CA C 13 60.585 0.2 . 1 . . . . 44 THR CA . 16444 1 543 . 1 1 44 44 THR CB C 13 72.245 0.2 . 1 . . . . 44 THR CB . 16444 1 544 . 1 1 44 44 THR CG2 C 13 21.822 0.2 . 1 . . . . 44 THR CG2 . 16444 1 545 . 1 1 44 44 THR N N 15 114.681 0.2 . 1 . . . . 44 THR N . 16444 1 546 . 1 1 45 45 TYR H H 1 8.540 0.02 . 1 . . . . 45 TYR H . 16444 1 547 . 1 1 45 45 TYR HA H 1 4.982 0.02 . 1 . . . . 45 TYR HA . 16444 1 548 . 1 1 45 45 TYR HB2 H 1 2.887 0.02 . 1 . . . . 45 TYR HB2 . 16444 1 549 . 1 1 45 45 TYR HB3 H 1 2.523 0.02 . 1 . . . . 45 TYR HB3 . 16444 1 550 . 1 1 45 45 TYR HD1 H 1 7.810 0.02 . 3 . . . . 45 TYR HD1 . 16444 1 551 . 1 1 45 45 TYR HD2 H 1 7.810 0.02 . 3 . . . . 45 TYR HD2 . 16444 1 552 . 1 1 45 45 TYR HE1 H 1 6.378 0.02 . 3 . . . . 45 TYR HE1 . 16444 1 553 . 1 1 45 45 TYR HE2 H 1 6.378 0.02 . 3 . . . . 45 TYR HE2 . 16444 1 554 . 1 1 45 45 TYR C C 13 172.210 0.2 . 1 . . . . 45 TYR C . 16444 1 555 . 1 1 45 45 TYR CA C 13 56.849 0.2 . 1 . . . . 45 TYR CA . 16444 1 556 . 1 1 45 45 TYR CB C 13 41.473 0.2 . 1 . . . . 45 TYR CB . 16444 1 557 . 1 1 45 45 TYR CD1 C 13 132.611 0.2 . 3 . . . . 45 TYR CD1 . 16444 1 558 . 1 1 45 45 TYR CD2 C 13 132.611 0.2 . 3 . . . . 45 TYR CD2 . 16444 1 559 . 1 1 45 45 TYR CE1 C 13 117.440 0.2 . 3 . . . . 45 TYR CE1 . 16444 1 560 . 1 1 45 45 TYR CE2 C 13 117.440 0.2 . 3 . . . . 45 TYR CE2 . 16444 1 561 . 1 1 45 45 TYR N N 15 121.033 0.2 . 1 . . . . 45 TYR N . 16444 1 562 . 1 1 46 46 ASP H H 1 7.645 0.02 . 1 . . . . 46 ASP H . 16444 1 563 . 1 1 46 46 ASP HA H 1 4.602 0.02 . 1 . . . . 46 ASP HA . 16444 1 564 . 1 1 46 46 ASP HB2 H 1 2.275 0.02 . 1 . . . . 46 ASP HB2 . 16444 1 565 . 1 1 46 46 ASP HB3 H 1 2.602 0.02 . 1 . . . . 46 ASP HB3 . 16444 1 566 . 1 1 46 46 ASP C C 13 173.626 0.2 . 1 . . . . 46 ASP C . 16444 1 567 . 1 1 46 46 ASP CA C 13 51.824 0.2 . 1 . . . . 46 ASP CA . 16444 1 568 . 1 1 46 46 ASP CB C 13 43.158 0.2 . 1 . . . . 46 ASP CB . 16444 1 569 . 1 1 46 46 ASP N N 15 128.577 0.2 . 1 . . . . 46 ASP N . 16444 1 570 . 1 1 47 47 ASP H H 1 8.542 0.02 . 1 . . . . 47 ASP H . 16444 1 571 . 1 1 47 47 ASP HA H 1 4.162 0.02 . 1 . . . . 47 ASP HA . 16444 1 572 . 1 1 47 47 ASP HB2 H 1 2.538 0.02 . 1 . . . . 47 ASP HB2 . 16444 1 573 . 1 1 47 47 ASP HB3 H 1 2.832 0.02 . 1 . . . . 47 ASP HB3 . 16444 1 574 . 1 1 47 47 ASP C C 13 177.017 0.2 . 1 . . . . 47 ASP C . 16444 1 575 . 1 1 47 47 ASP CA C 13 56.258 0.2 . 1 . . . . 47 ASP CA . 16444 1 576 . 1 1 47 47 ASP CB C 13 42.207 0.2 . 1 . . . . 47 ASP CB . 16444 1 577 . 1 1 47 47 ASP N N 15 124.962 0.2 . 1 . . . . 47 ASP N . 16444 1 578 . 1 1 48 48 ALA H H 1 8.302 0.02 . 1 . . . . 48 ALA H . 16444 1 579 . 1 1 48 48 ALA HA H 1 4.133 0.02 . 1 . . . . 48 ALA HA . 16444 1 580 . 1 1 48 48 ALA HB1 H 1 1.521 0.02 . 1 . . . . 48 ALA HB1 . 16444 1 581 . 1 1 48 48 ALA HB2 H 1 1.521 0.02 . 1 . . . . 48 ALA HB2 . 16444 1 582 . 1 1 48 48 ALA HB3 H 1 1.521 0.02 . 1 . . . . 48 ALA HB3 . 16444 1 583 . 1 1 48 48 ALA C C 13 178.897 0.2 . 1 . . . . 48 ALA C . 16444 1 584 . 1 1 48 48 ALA CA C 13 55.009 0.2 . 1 . . . . 48 ALA CA . 16444 1 585 . 1 1 48 48 ALA CB C 13 18.321 0.2 . 1 . . . . 48 ALA CB . 16444 1 586 . 1 1 48 48 ALA N N 15 119.932 0.2 . 1 . . . . 48 ALA N . 16444 1 587 . 1 1 49 49 THR H H 1 7.010 0.02 . 1 . . . . 49 THR H . 16444 1 588 . 1 1 49 49 THR HA H 1 4.413 0.02 . 1 . . . . 49 THR HA . 16444 1 589 . 1 1 49 49 THR HB H 1 4.417 0.02 . 1 . . . . 49 THR HB . 16444 1 590 . 1 1 49 49 THR HG21 H 1 1.092 0.02 . 1 . . . . 49 THR HG21 . 16444 1 591 . 1 1 49 49 THR HG22 H 1 1.092 0.02 . 1 . . . . 49 THR HG22 . 16444 1 592 . 1 1 49 49 THR HG23 H 1 1.092 0.02 . 1 . . . . 49 THR HG23 . 16444 1 593 . 1 1 49 49 THR C C 13 174.347 0.2 . 1 . . . . 49 THR C . 16444 1 594 . 1 1 49 49 THR CA C 13 60.445 0.2 . 1 . . . . 49 THR CA . 16444 1 595 . 1 1 49 49 THR CB C 13 70.274 0.2 . 1 . . . . 49 THR CB . 16444 1 596 . 1 1 49 49 THR CG2 C 13 21.219 0.2 . 1 . . . . 49 THR CG2 . 16444 1 597 . 1 1 49 49 THR N N 15 103.268 0.2 . 1 . . . . 49 THR N . 16444 1 598 . 1 1 50 50 LYS H H 1 7.863 0.02 . 1 . . . . 50 LYS H . 16444 1 599 . 1 1 50 50 LYS HA H 1 4.197 0.02 . 1 . . . . 50 LYS HA . 16444 1 600 . 1 1 50 50 LYS HB2 H 1 2.026 0.02 . 1 . . . . 50 LYS HB2 . 16444 1 601 . 1 1 50 50 LYS HB3 H 1 2.091 0.02 . 1 . . . . 50 LYS HB3 . 16444 1 602 . 1 1 50 50 LYS HD2 H 1 1.435 0.02 . 1 . . . . 50 LYS HD2 . 16444 1 603 . 1 1 50 50 LYS HD3 H 1 1.713 0.02 . 1 . . . . 50 LYS HD3 . 16444 1 604 . 1 1 50 50 LYS HE2 H 1 2.967 0.02 . 1 . . . . 50 LYS HE2 . 16444 1 605 . 1 1 50 50 LYS HE3 H 1 3.095 0.02 . 1 . . . . 50 LYS HE3 . 16444 1 606 . 1 1 50 50 LYS HG2 H 1 1.239 0.02 . 1 . . . . 50 LYS HG2 . 16444 1 607 . 1 1 50 50 LYS HG3 H 1 1.392 0.02 . 1 . . . . 50 LYS HG3 . 16444 1 608 . 1 1 50 50 LYS C C 13 174.075 0.2 . 1 . . . . 50 LYS C . 16444 1 609 . 1 1 50 50 LYS CA C 13 56.595 0.2 . 1 . . . . 50 LYS CA . 16444 1 610 . 1 1 50 50 LYS CB C 13 29.239 0.2 . 1 . . . . 50 LYS CB . 16444 1 611 . 1 1 50 50 LYS CD C 13 28.248 0.2 . 1 . . . . 50 LYS CD . 16444 1 612 . 1 1 50 50 LYS CE C 13 42.766 0.2 . 1 . . . . 50 LYS CE . 16444 1 613 . 1 1 50 50 LYS CG C 13 24.677 0.2 . 1 . . . . 50 LYS CG . 16444 1 614 . 1 1 50 50 LYS N N 15 123.067 0.2 . 1 . . . . 50 LYS N . 16444 1 615 . 1 1 51 51 THR H H 1 7.382 0.02 . 1 . . . . 51 THR H . 16444 1 616 . 1 1 51 51 THR HA H 1 5.508 0.02 . 1 . . . . 51 THR HA . 16444 1 617 . 1 1 51 51 THR HB H 1 3.773 0.02 . 1 . . . . 51 THR HB . 16444 1 618 . 1 1 51 51 THR HG21 H 1 1.017 0.02 . 1 . . . . 51 THR HG21 . 16444 1 619 . 1 1 51 51 THR HG22 H 1 1.017 0.02 . 1 . . . . 51 THR HG22 . 16444 1 620 . 1 1 51 51 THR HG23 H 1 1.017 0.02 . 1 . . . . 51 THR HG23 . 16444 1 621 . 1 1 51 51 THR C C 13 173.838 0.2 . 1 . . . . 51 THR C . 16444 1 622 . 1 1 51 51 THR CA C 13 62.249 0.2 . 1 . . . . 51 THR CA . 16444 1 623 . 1 1 51 51 THR CB C 13 72.031 0.2 . 1 . . . . 51 THR CB . 16444 1 624 . 1 1 51 51 THR CG2 C 13 20.855 0.2 . 1 . . . . 51 THR CG2 . 16444 1 625 . 1 1 51 51 THR N N 15 111.246 0.2 . 1 . . . . 51 THR N . 16444 1 626 . 1 1 52 52 PHE H H 1 10.366 0.02 . 1 . . . . 52 PHE H . 16444 1 627 . 1 1 52 52 PHE HA H 1 5.695 0.02 . 1 . . . . 52 PHE HA . 16444 1 628 . 1 1 52 52 PHE HB2 H 1 3.307 0.02 . 1 . . . . 52 PHE HB2 . 16444 1 629 . 1 1 52 52 PHE HB3 H 1 3.227 0.02 . 1 . . . . 52 PHE HB3 . 16444 1 630 . 1 1 52 52 PHE HD1 H 1 7.809 0.02 . 3 . . . . 52 PHE HD1 . 16444 1 631 . 1 1 52 52 PHE HD2 H 1 7.809 0.02 . 3 . . . . 52 PHE HD2 . 16444 1 632 . 1 1 52 52 PHE HE1 H 1 7.168 0.02 . 3 . . . . 52 PHE HE1 . 16444 1 633 . 1 1 52 52 PHE HE2 H 1 7.168 0.02 . 3 . . . . 52 PHE HE2 . 16444 1 634 . 1 1 52 52 PHE HZ H 1 6.989 0.02 . 1 . . . . 52 PHE HZ . 16444 1 635 . 1 1 52 52 PHE C C 13 173.716 0.2 . 1 . . . . 52 PHE C . 16444 1 636 . 1 1 52 52 PHE CA C 13 57.197 0.2 . 1 . . . . 52 PHE CA . 16444 1 637 . 1 1 52 52 PHE CB C 13 42.956 0.2 . 1 . . . . 52 PHE CB . 16444 1 638 . 1 1 52 52 PHE CD1 C 13 131.908 0.2 . 3 . . . . 52 PHE CD1 . 16444 1 639 . 1 1 52 52 PHE CD2 C 13 131.908 0.2 . 3 . . . . 52 PHE CD2 . 16444 1 640 . 1 1 52 52 PHE CE1 C 13 131.306 0.2 . 3 . . . . 52 PHE CE1 . 16444 1 641 . 1 1 52 52 PHE CE2 C 13 131.306 0.2 . 3 . . . . 52 PHE CE2 . 16444 1 642 . 1 1 52 52 PHE CZ C 13 128.809 0.2 . 1 . . . . 52 PHE CZ . 16444 1 643 . 1 1 52 52 PHE N N 15 130.830 0.2 . 1 . . . . 52 PHE N . 16444 1 644 . 1 1 53 53 THR H H 1 9.088 0.02 . 1 . . . . 53 THR H . 16444 1 645 . 1 1 53 53 THR HA H 1 5.216 0.02 . 1 . . . . 53 THR HA . 16444 1 646 . 1 1 53 53 THR HB H 1 3.839 0.02 . 1 . . . . 53 THR HB . 16444 1 647 . 1 1 53 53 THR HG21 H 1 0.966 0.02 . 1 . . . . 53 THR HG21 . 16444 1 648 . 1 1 53 53 THR HG22 H 1 0.966 0.02 . 1 . . . . 53 THR HG22 . 16444 1 649 . 1 1 53 53 THR HG23 H 1 0.966 0.02 . 1 . . . . 53 THR HG23 . 16444 1 650 . 1 1 53 53 THR C C 13 171.730 0.2 . 1 . . . . 53 THR C . 16444 1 651 . 1 1 53 53 THR CA C 13 61.537 0.2 . 1 . . . . 53 THR CA . 16444 1 652 . 1 1 53 53 THR CB C 13 71.092 0.2 . 1 . . . . 53 THR CB . 16444 1 653 . 1 1 53 53 THR CG2 C 13 20.678 0.2 . 1 . . . . 53 THR CG2 . 16444 1 654 . 1 1 53 53 THR N N 15 117.037 0.2 . 1 . . . . 53 THR N . 16444 1 655 . 1 1 54 54 VAL H H 1 8.208 0.02 . 1 . . . . 54 VAL H . 16444 1 656 . 1 1 54 54 VAL HA H 1 4.505 0.02 . 1 . . . . 54 VAL HA . 16444 1 657 . 1 1 54 54 VAL HB H 1 -0.211 0.02 . 1 . . . . 54 VAL HB . 16444 1 658 . 1 1 54 54 VAL HG11 H 1 -0.356 0.02 . 1 . . . . 54 VAL HG11 . 16444 1 659 . 1 1 54 54 VAL HG12 H 1 -0.356 0.02 . 1 . . . . 54 VAL HG12 . 16444 1 660 . 1 1 54 54 VAL HG13 H 1 -0.356 0.02 . 1 . . . . 54 VAL HG13 . 16444 1 661 . 1 1 54 54 VAL HG21 H 1 0.383 0.02 . 1 . . . . 54 VAL HG21 . 16444 1 662 . 1 1 54 54 VAL HG22 H 1 0.383 0.02 . 1 . . . . 54 VAL HG22 . 16444 1 663 . 1 1 54 54 VAL HG23 H 1 0.383 0.02 . 1 . . . . 54 VAL HG23 . 16444 1 664 . 1 1 54 54 VAL C C 13 172.375 0.2 . 1 . . . . 54 VAL C . 16444 1 665 . 1 1 54 54 VAL CA C 13 58.146 0.2 . 1 . . . . 54 VAL CA . 16444 1 666 . 1 1 54 54 VAL CB C 13 32.424 0.2 . 1 . . . . 54 VAL CB . 16444 1 667 . 1 1 54 54 VAL CG1 C 13 20.681 0.2 . 1 . . . . 54 VAL CG1 . 16444 1 668 . 1 1 54 54 VAL CG2 C 13 19.812 0.2 . 1 . . . . 54 VAL CG2 . 16444 1 669 . 1 1 54 54 VAL N N 15 123.372 0.2 . 1 . . . . 54 VAL N . 16444 1 670 . 1 1 55 55 THR H H 1 8.336 0.02 . 1 . . . . 55 THR H . 16444 1 671 . 1 1 55 55 THR HA H 1 4.731 0.02 . 1 . . . . 55 THR HA . 16444 1 672 . 1 1 55 55 THR HB H 1 3.871 0.02 . 1 . . . . 55 THR HB . 16444 1 673 . 1 1 55 55 THR HG21 H 1 1.157 0.02 . 1 . . . . 55 THR HG21 . 16444 1 674 . 1 1 55 55 THR HG22 H 1 1.157 0.02 . 1 . . . . 55 THR HG22 . 16444 1 675 . 1 1 55 55 THR HG23 H 1 1.157 0.02 . 1 . . . . 55 THR HG23 . 16444 1 676 . 1 1 55 55 THR C C 13 173.539 0.2 . 1 . . . . 55 THR C . 16444 1 677 . 1 1 55 55 THR CA C 13 60.947 0.2 . 1 . . . . 55 THR CA . 16444 1 678 . 1 1 55 55 THR CB C 13 70.534 0.2 . 1 . . . . 55 THR CB . 16444 1 679 . 1 1 55 55 THR CG2 C 13 21.309 0.2 . 1 . . . . 55 THR CG2 . 16444 1 680 . 1 1 55 55 THR N N 15 123.434 0.2 . 1 . . . . 55 THR N . 16444 1 681 . 1 1 56 56 GLU H H 1 8.135 0.02 . 1 . . . . 56 GLU H . 16444 1 682 . 1 1 56 56 GLU HA H 1 4.521 0.02 . 1 . . . . 56 GLU HA . 16444 1 683 . 1 1 56 56 GLU HB2 H 1 2.185 0.02 . 1 . . . . 56 GLU HB2 . 16444 1 684 . 1 1 56 56 GLU HB3 H 1 2.051 0.02 . 1 . . . . 56 GLU HB3 . 16444 1 685 . 1 1 56 56 GLU HG2 H 1 2.433 0.02 . 1 . . . . 56 GLU HG2 . 16444 1 686 . 1 1 56 56 GLU HG3 H 1 2.477 0.02 . 1 . . . . 56 GLU HG3 . 16444 1 687 . 1 1 56 56 GLU C C 13 175.150 0.2 . 1 . . . . 56 GLU C . 16444 1 688 . 1 1 56 56 GLU CA C 13 56.571 0.2 . 1 . . . . 56 GLU CA . 16444 1 689 . 1 1 56 56 GLU CB C 13 31.959 0.2 . 1 . . . . 56 GLU CB . 16444 1 690 . 1 1 56 56 GLU CG C 13 36.481 0.2 . 1 . . . . 56 GLU CG . 16444 1 691 . 1 1 56 56 GLU N N 15 128.752 0.2 . 1 . . . . 56 GLU N . 16444 1 692 . 1 1 57 57 GLY H H 1 8.796 0.02 . 1 . . . . 57 GLY H . 16444 1 693 . 1 1 57 57 GLY HA2 H 1 3.996 0.02 . 1 . . . . 57 GLY HA2 . 16444 1 694 . 1 1 57 57 GLY HA3 H 1 4.093 0.02 . 1 . . . . 57 GLY HA3 . 16444 1 695 . 1 1 57 57 GLY C C 13 172.653 0.2 . 1 . . . . 57 GLY C . 16444 1 696 . 1 1 57 57 GLY CA C 13 45.205 0.2 . 1 . . . . 57 GLY CA . 16444 1 697 . 1 1 57 57 GLY N N 15 112.718 0.2 . 1 . . . . 57 GLY N . 16444 1 698 . 1 1 58 58 SER H H 1 9.026 0.02 . 1 . . . . 58 SER H . 16444 1 699 . 1 1 58 58 SER HB2 H 1 3.743 0.02 . 1 . . . . 58 SER HB2 . 16444 1 700 . 1 1 58 58 SER HB3 H 1 3.743 0.02 . 1 . . . . 58 SER HB3 . 16444 1 701 . 1 1 58 58 SER CB C 13 76.394 0.2 . 1 . . . . 58 SER CB . 16444 1 702 . 1 1 58 58 SER N N 15 122.462 0.2 . 1 . . . . 58 SER N . 16444 1 703 . 1 1 64 64 HIS HA H 1 4.550 0.02 . 1 . . . . 64 HIS HA . 16444 1 704 . 1 1 64 64 HIS HB2 H 1 2.984 0.02 . 1 . . . . 64 HIS HB2 . 16444 1 705 . 1 1 64 64 HIS HB3 H 1 3.043 0.02 . 1 . . . . 64 HIS HB3 . 16444 1 706 . 1 1 64 64 HIS HD2 H 1 6.931 0.02 . 1 . . . . 64 HIS HD2 . 16444 1 707 . 1 1 64 64 HIS HE1 H 1 7.945 0.02 . 1 . . . . 64 HIS HE1 . 16444 1 708 . 1 1 64 64 HIS C C 13 173.981 0.2 . 1 . . . . 64 HIS C . 16444 1 709 . 1 1 64 64 HIS CA C 13 56.103 0.2 . 1 . . . . 64 HIS CA . 16444 1 710 . 1 1 64 64 HIS CB C 13 30.420 0.2 . 1 . . . . 64 HIS CB . 16444 1 711 . 1 1 64 64 HIS CD2 C 13 119.606 0.2 . 1 . . . . 64 HIS CD2 . 16444 1 712 . 1 1 64 64 HIS CE1 C 13 137.890 0.2 . 1 . . . . 64 HIS CE1 . 16444 1 713 . 1 1 65 65 MET H H 1 8.196 0.02 . 1 . . . . 65 MET H . 16444 1 714 . 1 1 65 65 MET HA H 1 4.336 0.02 . 1 . . . . 65 MET HA . 16444 1 715 . 1 1 65 65 MET HB2 H 1 1.853 0.02 . 1 . . . . 65 MET HB2 . 16444 1 716 . 1 1 65 65 MET HB3 H 1 1.933 0.02 . 1 . . . . 65 MET HB3 . 16444 1 717 . 1 1 65 65 MET HE1 H 1 2.171 0.02 . 1 . . . . 65 MET HE1 . 16444 1 718 . 1 1 65 65 MET HE2 H 1 2.171 0.02 . 1 . . . . 65 MET HE2 . 16444 1 719 . 1 1 65 65 MET HE3 H 1 2.171 0.02 . 1 . . . . 65 MET HE3 . 16444 1 720 . 1 1 65 65 MET HG2 H 1 2.325 0.02 . 1 . . . . 65 MET HG2 . 16444 1 721 . 1 1 65 65 MET HG3 H 1 2.391 0.02 . 1 . . . . 65 MET HG3 . 16444 1 722 . 1 1 65 65 MET C C 13 174.410 0.2 . 1 . . . . 65 MET C . 16444 1 723 . 1 1 65 65 MET CA C 13 55.525 0.2 . 1 . . . . 65 MET CA . 16444 1 724 . 1 1 65 65 MET CB C 13 33.278 0.2 . 1 . . . . 65 MET CB . 16444 1 725 . 1 1 65 65 MET CE C 13 17.387 0.2 . 1 . . . . 65 MET CE . 16444 1 726 . 1 1 65 65 MET CG C 13 31.880 0.2 . 1 . . . . 65 MET CG . 16444 1 727 . 1 1 65 65 MET N N 15 121.181 0.2 . 1 . . . . 65 MET N . 16444 1 728 . 1 1 66 66 ASP H H 1 8.322 0.02 . 1 . . . . 66 ASP H . 16444 1 729 . 1 1 66 66 ASP HA H 1 4.597 0.02 . 1 . . . . 66 ASP HA . 16444 1 730 . 1 1 66 66 ASP HB2 H 1 2.549 0.02 . 1 . . . . 66 ASP HB2 . 16444 1 731 . 1 1 66 66 ASP HB3 H 1 2.718 0.02 . 1 . . . . 66 ASP HB3 . 16444 1 732 . 1 1 66 66 ASP C C 13 175.570 0.2 . 1 . . . . 66 ASP C . 16444 1 733 . 1 1 66 66 ASP CA C 13 54.018 0.2 . 1 . . . . 66 ASP CA . 16444 1 734 . 1 1 66 66 ASP CB C 13 41.189 0.2 . 1 . . . . 66 ASP CB . 16444 1 735 . 1 1 66 66 ASP N N 15 121.827 0.2 . 1 . . . . 66 ASP N . 16444 1 736 . 1 1 67 67 VAL H H 1 8.048 0.02 . 1 . . . . 67 VAL H . 16444 1 737 . 1 1 67 67 VAL HA H 1 4.050 0.02 . 1 . . . . 67 VAL HA . 16444 1 738 . 1 1 67 67 VAL HB H 1 1.978 0.02 . 1 . . . . 67 VAL HB . 16444 1 739 . 1 1 67 67 VAL HG11 H 1 0.791 0.02 . 1 . . . . 67 VAL HG11 . 16444 1 740 . 1 1 67 67 VAL HG12 H 1 0.791 0.02 . 1 . . . . 67 VAL HG12 . 16444 1 741 . 1 1 67 67 VAL HG13 H 1 0.791 0.02 . 1 . . . . 67 VAL HG13 . 16444 1 742 . 1 1 67 67 VAL HG21 H 1 0.804 0.02 . 1 . . . . 67 VAL HG21 . 16444 1 743 . 1 1 67 67 VAL HG22 H 1 0.804 0.02 . 1 . . . . 67 VAL HG22 . 16444 1 744 . 1 1 67 67 VAL HG23 H 1 0.804 0.02 . 1 . . . . 67 VAL HG23 . 16444 1 745 . 1 1 67 67 VAL C C 13 175.720 0.2 . 1 . . . . 67 VAL C . 16444 1 746 . 1 1 67 67 VAL CA C 13 62.504 0.2 . 1 . . . . 67 VAL CA . 16444 1 747 . 1 1 67 67 VAL CB C 13 32.808 0.2 . 1 . . . . 67 VAL CB . 16444 1 748 . 1 1 67 67 VAL CG1 C 13 20.104 0.2 . 1 . . . . 67 VAL CG1 . 16444 1 749 . 1 1 67 67 VAL CG2 C 13 21.203 0.2 . 1 . . . . 67 VAL CG2 . 16444 1 750 . 1 1 67 67 VAL N N 15 119.568 0.2 . 1 . . . . 67 VAL N . 16444 1 751 . 1 1 68 68 GLU H H 1 8.411 0.02 . 1 . . . . 68 GLU H . 16444 1 752 . 1 1 68 68 GLU HA H 1 4.119 0.02 . 1 . . . . 68 GLU HA . 16444 1 753 . 1 1 68 68 GLU HB2 H 1 1.980 0.02 . 1 . . . . 68 GLU HB2 . 16444 1 754 . 1 1 68 68 GLU HB3 H 1 2.023 0.02 . 1 . . . . 68 GLU HB3 . 16444 1 755 . 1 1 68 68 GLU HG2 H 1 2.254 0.02 . 1 . . . . 68 GLU HG2 . 16444 1 756 . 1 1 68 68 GLU HG3 H 1 2.254 0.02 . 1 . . . . 68 GLU HG3 . 16444 1 757 . 1 1 68 68 GLU C C 13 176.196 0.2 . 1 . . . . 68 GLU C . 16444 1 758 . 1 1 68 68 GLU CA C 13 57.846 0.2 . 1 . . . . 68 GLU CA . 16444 1 759 . 1 1 68 68 GLU CB C 13 29.851 0.2 . 1 . . . . 68 GLU CB . 16444 1 760 . 1 1 68 68 GLU CG C 13 36.462 0.2 . 1 . . . . 68 GLU CG . 16444 1 761 . 1 1 68 68 GLU N N 15 123.091 0.2 . 1 . . . . 68 GLU N . 16444 1 762 . 1 1 69 69 GLY H H 1 8.284 0.02 . 1 . . . . 69 GLY H . 16444 1 763 . 1 1 69 69 GLY HA2 H 1 3.988 0.02 . 1 . . . . 69 GLY HA2 . 16444 1 764 . 1 1 69 69 GLY HA3 H 1 3.961 0.02 . 1 . . . . 69 GLY HA3 . 16444 1 765 . 1 1 69 69 GLY C C 13 173.461 0.2 . 1 . . . . 69 GLY C . 16444 1 766 . 1 1 69 69 GLY CA C 13 45.236 0.2 . 1 . . . . 69 GLY CA . 16444 1 767 . 1 1 69 69 GLY N N 15 108.621 0.2 . 1 . . . . 69 GLY N . 16444 1 768 . 1 1 70 70 MET H H 1 7.752 0.02 . 1 . . . . 70 MET H . 16444 1 769 . 1 1 70 70 MET HA H 1 4.680 0.02 . 1 . . . . 70 MET HA . 16444 1 770 . 1 1 70 70 MET HB2 H 1 1.766 0.02 . 1 . . . . 70 MET HB2 . 16444 1 771 . 1 1 70 70 MET HB3 H 1 1.867 0.02 . 1 . . . . 70 MET HB3 . 16444 1 772 . 1 1 70 70 MET HE1 H 1 1.696 0.02 . 1 . . . . 70 MET HE1 . 16444 1 773 . 1 1 70 70 MET HE2 H 1 1.696 0.02 . 1 . . . . 70 MET HE2 . 16444 1 774 . 1 1 70 70 MET HE3 H 1 1.696 0.02 . 1 . . . . 70 MET HE3 . 16444 1 775 . 1 1 70 70 MET HG2 H 1 2.260 0.02 . 1 . . . . 70 MET HG2 . 16444 1 776 . 1 1 70 70 MET HG3 H 1 2.480 0.02 . 1 . . . . 70 MET HG3 . 16444 1 777 . 1 1 70 70 MET C C 13 174.855 0.2 . 1 . . . . 70 MET C . 16444 1 778 . 1 1 70 70 MET CA C 13 55.789 0.2 . 1 . . . . 70 MET CA . 16444 1 779 . 1 1 70 70 MET CB C 13 34.423 0.2 . 1 . . . . 70 MET CB . 16444 1 780 . 1 1 70 70 MET CE C 13 17.838 0.2 . 1 . . . . 70 MET CE . 16444 1 781 . 1 1 70 70 MET CG C 13 33.525 0.2 . 1 . . . . 70 MET CG . 16444 1 782 . 1 1 70 70 MET N N 15 118.353 0.2 . 1 . . . . 70 MET N . 16444 1 783 . 1 1 71 71 THR H H 1 8.866 0.02 . 1 . . . . 71 THR H . 16444 1 784 . 1 1 71 71 THR HA H 1 4.541 0.02 . 1 . . . . 71 THR HA . 16444 1 785 . 1 1 71 71 THR HB H 1 3.852 0.02 . 1 . . . . 71 THR HB . 16444 1 786 . 1 1 71 71 THR HG21 H 1 1.200 0.02 . 1 . . . . 71 THR HG21 . 16444 1 787 . 1 1 71 71 THR HG22 H 1 1.200 0.02 . 1 . . . . 71 THR HG22 . 16444 1 788 . 1 1 71 71 THR HG23 H 1 1.200 0.02 . 1 . . . . 71 THR HG23 . 16444 1 789 . 1 1 71 71 THR C C 13 173.283 0.2 . 1 . . . . 71 THR C . 16444 1 790 . 1 1 71 71 THR CA C 13 63.090 0.2 . 1 . . . . 71 THR CA . 16444 1 791 . 1 1 71 71 THR CB C 13 70.507 0.2 . 1 . . . . 71 THR CB . 16444 1 792 . 1 1 71 71 THR CG2 C 13 22.137 0.2 . 1 . . . . 71 THR CG2 . 16444 1 793 . 1 1 71 71 THR N N 15 117.776 0.2 . 1 . . . . 71 THR N . 16444 1 794 . 1 1 72 72 SER H H 1 8.982 0.02 . 1 . . . . 72 SER H . 16444 1 795 . 1 1 72 72 SER HA H 1 5.351 0.02 . 1 . . . . 72 SER HA . 16444 1 796 . 1 1 72 72 SER HB2 H 1 3.627 0.02 . 1 . . . . 72 SER HB2 . 16444 1 797 . 1 1 72 72 SER HB3 H 1 3.929 0.02 . 1 . . . . 72 SER HB3 . 16444 1 798 . 1 1 72 72 SER C C 13 171.698 0.2 . 1 . . . . 72 SER C . 16444 1 799 . 1 1 72 72 SER CA C 13 58.616 0.2 . 1 . . . . 72 SER CA . 16444 1 800 . 1 1 72 72 SER CB C 13 64.886 0.2 . 1 . . . . 72 SER CB . 16444 1 801 . 1 1 72 72 SER N N 15 122.227 0.2 . 1 . . . . 72 SER N . 16444 1 802 . 1 1 73 73 LEU H H 1 9.335 0.02 . 1 . . . . 73 LEU H . 16444 1 803 . 1 1 73 73 LEU HA H 1 5.137 0.02 . 1 . . . . 73 LEU HA . 16444 1 804 . 1 1 73 73 LEU HB2 H 1 1.234 0.02 . 1 . . . . 73 LEU HB2 . 16444 1 805 . 1 1 73 73 LEU HB3 H 1 1.695 0.02 . 1 . . . . 73 LEU HB3 . 16444 1 806 . 1 1 73 73 LEU HD11 H 1 0.879 0.02 . 1 . . . . 73 LEU HD11 . 16444 1 807 . 1 1 73 73 LEU HD12 H 1 0.879 0.02 . 1 . . . . 73 LEU HD12 . 16444 1 808 . 1 1 73 73 LEU HD13 H 1 0.879 0.02 . 1 . . . . 73 LEU HD13 . 16444 1 809 . 1 1 73 73 LEU HD21 H 1 0.879 0.02 . 1 . . . . 73 LEU HD21 . 16444 1 810 . 1 1 73 73 LEU HD22 H 1 0.879 0.02 . 1 . . . . 73 LEU HD22 . 16444 1 811 . 1 1 73 73 LEU HD23 H 1 0.879 0.02 . 1 . . . . 73 LEU HD23 . 16444 1 812 . 1 1 73 73 LEU HG H 1 0.939 0.02 . 1 . . . . 73 LEU HG . 16444 1 813 . 1 1 73 73 LEU C C 13 175.185 0.2 . 1 . . . . 73 LEU C . 16444 1 814 . 1 1 73 73 LEU CA C 13 52.776 0.2 . 1 . . . . 73 LEU CA . 16444 1 815 . 1 1 73 73 LEU CB C 13 44.150 0.2 . 1 . . . . 73 LEU CB . 16444 1 816 . 1 1 73 73 LEU CD1 C 13 23.522 0.2 . 1 . . . . 73 LEU CD1 . 16444 1 817 . 1 1 73 73 LEU CD2 C 13 23.522 0.2 . 1 . . . . 73 LEU CD2 . 16444 1 818 . 1 1 73 73 LEU CG C 13 26.844 0.2 . 1 . . . . 73 LEU CG . 16444 1 819 . 1 1 73 73 LEU N N 15 123.004 0.2 . 1 . . . . 73 LEU N . 16444 1 820 . 1 1 74 74 LYS H H 1 9.306 0.02 . 1 . . . . 74 LYS H . 16444 1 821 . 1 1 74 74 LYS HA H 1 4.830 0.02 . 1 . . . . 74 LYS HA . 16444 1 822 . 1 1 74 74 LYS HB2 H 1 1.415 0.02 . 1 . . . . 74 LYS HB2 . 16444 1 823 . 1 1 74 74 LYS HB3 H 1 1.713 0.02 . 1 . . . . 74 LYS HB3 . 16444 1 824 . 1 1 74 74 LYS HD2 H 1 1.395 0.02 . 1 . . . . 74 LYS HD2 . 16444 1 825 . 1 1 74 74 LYS HD3 H 1 1.456 0.02 . 1 . . . . 74 LYS HD3 . 16444 1 826 . 1 1 74 74 LYS HE2 H 1 2.257 0.02 . 1 . . . . 74 LYS HE2 . 16444 1 827 . 1 1 74 74 LYS HE3 H 1 2.257 0.02 . 1 . . . . 74 LYS HE3 . 16444 1 828 . 1 1 74 74 LYS HG2 H 1 1.055 0.02 . 1 . . . . 74 LYS HG2 . 16444 1 829 . 1 1 74 74 LYS HG3 H 1 1.055 0.02 . 1 . . . . 74 LYS HG3 . 16444 1 830 . 1 1 74 74 LYS C C 13 173.804 0.2 . 1 . . . . 74 LYS C . 16444 1 831 . 1 1 74 74 LYS CA C 13 55.208 0.2 . 1 . . . . 74 LYS CA . 16444 1 832 . 1 1 74 74 LYS CB C 13 34.986 0.2 . 1 . . . . 74 LYS CB . 16444 1 833 . 1 1 74 74 LYS CD C 13 29.685 0.2 . 1 . . . . 74 LYS CD . 16444 1 834 . 1 1 74 74 LYS CE C 13 41.365 0.2 . 1 . . . . 74 LYS CE . 16444 1 835 . 1 1 74 74 LYS CG C 13 25.648 0.2 . 1 . . . . 74 LYS CG . 16444 1 836 . 1 1 74 74 LYS N N 15 123.440 0.2 . 1 . . . . 74 LYS N . 16444 1 837 . 1 1 75 75 VAL H H 1 9.241 0.02 . 1 . . . . 75 VAL H . 16444 1 838 . 1 1 75 75 VAL HA H 1 4.776 0.02 . 1 . . . . 75 VAL HA . 16444 1 839 . 1 1 75 75 VAL HB H 1 1.889 0.02 . 1 . . . . 75 VAL HB . 16444 1 840 . 1 1 75 75 VAL HG11 H 1 0.746 0.02 . 1 . . . . 75 VAL HG11 . 16444 1 841 . 1 1 75 75 VAL HG12 H 1 0.746 0.02 . 1 . . . . 75 VAL HG12 . 16444 1 842 . 1 1 75 75 VAL HG13 H 1 0.746 0.02 . 1 . . . . 75 VAL HG13 . 16444 1 843 . 1 1 75 75 VAL HG21 H 1 1.022 0.02 . 1 . . . . 75 VAL HG21 . 16444 1 844 . 1 1 75 75 VAL HG22 H 1 1.022 0.02 . 1 . . . . 75 VAL HG22 . 16444 1 845 . 1 1 75 75 VAL HG23 H 1 1.022 0.02 . 1 . . . . 75 VAL HG23 . 16444 1 846 . 1 1 75 75 VAL C C 13 172.662 0.2 . 1 . . . . 75 VAL C . 16444 1 847 . 1 1 75 75 VAL CA C 13 60.945 0.2 . 1 . . . . 75 VAL CA . 16444 1 848 . 1 1 75 75 VAL CB C 13 33.391 0.2 . 1 . . . . 75 VAL CB . 16444 1 849 . 1 1 75 75 VAL CG1 C 13 21.568 0.2 . 1 . . . . 75 VAL CG1 . 16444 1 850 . 1 1 75 75 VAL CG2 C 13 22.953 0.2 . 1 . . . . 75 VAL CG2 . 16444 1 851 . 1 1 75 75 VAL N N 15 129.625 0.2 . 1 . . . . 75 VAL N . 16444 1 852 . 1 1 76 76 ASP H H 1 9.428 0.02 . 1 . . . . 76 ASP H . 16444 1 853 . 1 1 76 76 ASP HA H 1 5.323 0.02 . 1 . . . . 76 ASP HA . 16444 1 854 . 1 1 76 76 ASP HB2 H 1 2.489 0.02 . 1 . . . . 76 ASP HB2 . 16444 1 855 . 1 1 76 76 ASP HB3 H 1 2.718 0.02 . 1 . . . . 76 ASP HB3 . 16444 1 856 . 1 1 76 76 ASP C C 13 174.348 0.2 . 1 . . . . 76 ASP C . 16444 1 857 . 1 1 76 76 ASP CA C 13 52.673 0.2 . 1 . . . . 76 ASP CA . 16444 1 858 . 1 1 76 76 ASP CB C 13 45.477 0.2 . 1 . . . . 76 ASP CB . 16444 1 859 . 1 1 76 76 ASP N N 15 126.159 0.2 . 1 . . . . 76 ASP N . 16444 1 860 . 1 1 77 77 ASN H H 1 8.792 0.02 . 1 . . . . 77 ASN H . 16444 1 861 . 1 1 77 77 ASN HA H 1 4.504 0.02 . 1 . . . . 77 ASN HA . 16444 1 862 . 1 1 77 77 ASN HB2 H 1 2.742 0.02 . 1 . . . . 77 ASN HB2 . 16444 1 863 . 1 1 77 77 ASN HB3 H 1 3.682 0.02 . 1 . . . . 77 ASN HB3 . 16444 1 864 . 1 1 77 77 ASN HD21 H 1 6.807 0.02 . 1 . . . . 77 ASN HD21 . 16444 1 865 . 1 1 77 77 ASN HD22 H 1 8.229 0.02 . 1 . . . . 77 ASN HD22 . 16444 1 866 . 1 1 77 77 ASN C C 13 173.554 0.2 . 1 . . . . 77 ASN C . 16444 1 867 . 1 1 77 77 ASN CA C 13 53.664 0.2 . 1 . . . . 77 ASN CA . 16444 1 868 . 1 1 77 77 ASN CB C 13 37.665 0.2 . 1 . . . . 77 ASN CB . 16444 1 869 . 1 1 77 77 ASN N N 15 113.788 0.2 . 1 . . . . 77 ASN N . 16444 1 870 . 1 1 77 77 ASN ND2 N 15 111.757 0.2 . 1 . . . . 77 ASN ND2 . 16444 1 871 . 1 1 78 78 LEU H H 1 7.680 0.02 . 1 . . . . 78 LEU H . 16444 1 872 . 1 1 78 78 LEU HA H 1 4.415 0.02 . 1 . . . . 78 LEU HA . 16444 1 873 . 1 1 78 78 LEU HB2 H 1 1.245 0.02 . 1 . . . . 78 LEU HB2 . 16444 1 874 . 1 1 78 78 LEU HB3 H 1 1.383 0.02 . 1 . . . . 78 LEU HB3 . 16444 1 875 . 1 1 78 78 LEU HD11 H 1 0.628 0.02 . 1 . . . . 78 LEU HD11 . 16444 1 876 . 1 1 78 78 LEU HD12 H 1 0.628 0.02 . 1 . . . . 78 LEU HD12 . 16444 1 877 . 1 1 78 78 LEU HD13 H 1 0.628 0.02 . 1 . . . . 78 LEU HD13 . 16444 1 878 . 1 1 78 78 LEU HD21 H 1 0.628 0.02 . 1 . . . . 78 LEU HD21 . 16444 1 879 . 1 1 78 78 LEU HD22 H 1 0.628 0.02 . 1 . . . . 78 LEU HD22 . 16444 1 880 . 1 1 78 78 LEU HD23 H 1 0.628 0.02 . 1 . . . . 78 LEU HD23 . 16444 1 881 . 1 1 78 78 LEU HG H 1 0.817 0.02 . 1 . . . . 78 LEU HG . 16444 1 882 . 1 1 78 78 LEU C C 13 178.276 0.2 . 1 . . . . 78 LEU C . 16444 1 883 . 1 1 78 78 LEU CA C 13 53.769 0.2 . 1 . . . . 78 LEU CA . 16444 1 884 . 1 1 78 78 LEU CB C 13 43.936 0.2 . 1 . . . . 78 LEU CB . 16444 1 885 . 1 1 78 78 LEU CD1 C 13 27.210 0.2 . 1 . . . . 78 LEU CD1 . 16444 1 886 . 1 1 78 78 LEU CD2 C 13 27.210 0.2 . 1 . . . . 78 LEU CD2 . 16444 1 887 . 1 1 78 78 LEU CG C 13 24.660 0.2 . 1 . . . . 78 LEU CG . 16444 1 888 . 1 1 78 78 LEU N N 15 115.249 0.2 . 1 . . . . 78 LEU N . 16444 1 889 . 1 1 79 79 THR H H 1 8.431 0.02 . 1 . . . . 79 THR H . 16444 1 890 . 1 1 79 79 THR HA H 1 4.417 0.02 . 1 . . . . 79 THR HA . 16444 1 891 . 1 1 79 79 THR HB H 1 4.453 0.02 . 1 . . . . 79 THR HB . 16444 1 892 . 1 1 79 79 THR HG21 H 1 1.404 0.02 . 1 . . . . 79 THR HG21 . 16444 1 893 . 1 1 79 79 THR HG22 H 1 1.404 0.02 . 1 . . . . 79 THR HG22 . 16444 1 894 . 1 1 79 79 THR HG23 H 1 1.404 0.02 . 1 . . . . 79 THR HG23 . 16444 1 895 . 1 1 79 79 THR C C 13 176.487 0.2 . 1 . . . . 79 THR C . 16444 1 896 . 1 1 79 79 THR CA C 13 60.856 0.2 . 1 . . . . 79 THR CA . 16444 1 897 . 1 1 79 79 THR CB C 13 70.789 0.2 . 1 . . . . 79 THR CB . 16444 1 898 . 1 1 79 79 THR CG2 C 13 22.794 0.2 . 1 . . . . 79 THR CG2 . 16444 1 899 . 1 1 79 79 THR N N 15 111.713 0.2 . 1 . . . . 79 THR N . 16444 1 900 . 1 1 80 80 TYR H H 1 7.116 0.02 . 1 . . . . 80 TYR H . 16444 1 901 . 1 1 80 80 TYR HA H 1 4.334 0.02 . 1 . . . . 80 TYR HA . 16444 1 902 . 1 1 80 80 TYR HB2 H 1 3.104 0.02 . 1 . . . . 80 TYR HB2 . 16444 1 903 . 1 1 80 80 TYR HB3 H 1 3.201 0.02 . 1 . . . . 80 TYR HB3 . 16444 1 904 . 1 1 80 80 TYR HD1 H 1 7.111 0.02 . 3 . . . . 80 TYR HD1 . 16444 1 905 . 1 1 80 80 TYR HD2 H 1 7.111 0.02 . 3 . . . . 80 TYR HD2 . 16444 1 906 . 1 1 80 80 TYR HE1 H 1 6.809 0.02 . 3 . . . . 80 TYR HE1 . 16444 1 907 . 1 1 80 80 TYR HE2 H 1 6.809 0.02 . 3 . . . . 80 TYR HE2 . 16444 1 908 . 1 1 80 80 TYR C C 13 175.235 0.2 . 1 . . . . 80 TYR C . 16444 1 909 . 1 1 80 80 TYR CA C 13 59.285 0.2 . 1 . . . . 80 TYR CA . 16444 1 910 . 1 1 80 80 TYR CB C 13 36.960 0.2 . 1 . . . . 80 TYR CB . 16444 1 911 . 1 1 80 80 TYR CD1 C 13 132.695 0.2 . 3 . . . . 80 TYR CD1 . 16444 1 912 . 1 1 80 80 TYR CD2 C 13 132.695 0.2 . 3 . . . . 80 TYR CD2 . 16444 1 913 . 1 1 80 80 TYR CE1 C 13 118.239 0.2 . 3 . . . . 80 TYR CE1 . 16444 1 914 . 1 1 80 80 TYR CE2 C 13 118.239 0.2 . 3 . . . . 80 TYR CE2 . 16444 1 915 . 1 1 80 80 TYR N N 15 119.675 0.2 . 1 . . . . 80 TYR N . 16444 1 916 . 1 1 81 81 ARG H H 1 7.398 0.02 . 1 . . . . 81 ARG H . 16444 1 917 . 1 1 81 81 ARG HA H 1 4.252 0.02 . 1 . . . . 81 ARG HA . 16444 1 918 . 1 1 81 81 ARG HB2 H 1 1.700 0.02 . 1 . . . . 81 ARG HB2 . 16444 1 919 . 1 1 81 81 ARG HB3 H 1 1.791 0.02 . 1 . . . . 81 ARG HB3 . 16444 1 920 . 1 1 81 81 ARG HD2 H 1 3.092 0.02 . 1 . . . . 81 ARG HD2 . 16444 1 921 . 1 1 81 81 ARG HD3 H 1 3.092 0.02 . 1 . . . . 81 ARG HD3 . 16444 1 922 . 1 1 81 81 ARG HG2 H 1 1.218 0.02 . 1 . . . . 81 ARG HG2 . 16444 1 923 . 1 1 81 81 ARG HG3 H 1 1.439 0.02 . 1 . . . . 81 ARG HG3 . 16444 1 924 . 1 1 81 81 ARG C C 13 175.493 0.2 . 1 . . . . 81 ARG C . 16444 1 925 . 1 1 81 81 ARG CA C 13 55.891 0.2 . 1 . . . . 81 ARG CA . 16444 1 926 . 1 1 81 81 ARG CB C 13 30.024 0.2 . 1 . . . . 81 ARG CB . 16444 1 927 . 1 1 81 81 ARG CD C 13 43.484 0.2 . 1 . . . . 81 ARG CD . 16444 1 928 . 1 1 81 81 ARG CG C 13 26.057 0.2 . 1 . . . . 81 ARG CG . 16444 1 929 . 1 1 81 81 ARG N N 15 114.988 0.2 . 1 . . . . 81 ARG N . 16444 1 930 . 1 1 82 82 THR H H 1 7.390 0.02 . 1 . . . . 82 THR H . 16444 1 931 . 1 1 82 82 THR HA H 1 4.073 0.02 . 1 . . . . 82 THR HA . 16444 1 932 . 1 1 82 82 THR HB H 1 4.065 0.02 . 1 . . . . 82 THR HB . 16444 1 933 . 1 1 82 82 THR HG21 H 1 1.146 0.02 . 1 . . . . 82 THR HG21 . 16444 1 934 . 1 1 82 82 THR HG22 H 1 1.146 0.02 . 1 . . . . 82 THR HG22 . 16444 1 935 . 1 1 82 82 THR HG23 H 1 1.146 0.02 . 1 . . . . 82 THR HG23 . 16444 1 936 . 1 1 82 82 THR C C 13 172.331 0.2 . 1 . . . . 82 THR C . 16444 1 937 . 1 1 82 82 THR CA C 13 64.700 0.2 . 1 . . . . 82 THR CA . 16444 1 938 . 1 1 82 82 THR CB C 13 68.275 0.2 . 1 . . . . 82 THR CB . 16444 1 939 . 1 1 82 82 THR CG2 C 13 21.807 0.2 . 1 . . . . 82 THR CG2 . 16444 1 940 . 1 1 82 82 THR N N 15 119.123 0.2 . 1 . . . . 82 THR N . 16444 1 941 . 1 1 83 83 SER H H 1 8.457 0.02 . 1 . . . . 83 SER H . 16444 1 942 . 1 1 83 83 SER HA H 1 4.866 0.02 . 1 . . . . 83 SER HA . 16444 1 943 . 1 1 83 83 SER HB2 H 1 3.984 0.02 . 1 . . . . 83 SER HB2 . 16444 1 944 . 1 1 83 83 SER HB3 H 1 4.413 0.02 . 1 . . . . 83 SER HB3 . 16444 1 945 . 1 1 83 83 SER C C 13 172.382 0.2 . 1 . . . . 83 SER C . 16444 1 946 . 1 1 83 83 SER CA C 13 55.531 0.2 . 1 . . . . 83 SER CA . 16444 1 947 . 1 1 83 83 SER CB C 13 64.331 0.2 . 1 . . . . 83 SER CB . 16444 1 948 . 1 1 83 83 SER N N 15 124.663 0.2 . 1 . . . . 83 SER N . 16444 1 949 . 1 1 84 84 PRO HA H 1 4.085 0.02 . 1 . . . . 84 PRO HA . 16444 1 950 . 1 1 84 84 PRO HB2 H 1 2.065 0.02 . 1 . . . . 84 PRO HB2 . 16444 1 951 . 1 1 84 84 PRO HB3 H 1 2.207 0.02 . 1 . . . . 84 PRO HB3 . 16444 1 952 . 1 1 84 84 PRO HD2 H 1 4.045 0.02 . 1 . . . . 84 PRO HD2 . 16444 1 953 . 1 1 84 84 PRO HD3 H 1 3.823 0.02 . 1 . . . . 84 PRO HD3 . 16444 1 954 . 1 1 84 84 PRO HG2 H 1 2.308 0.02 . 1 . . . . 84 PRO HG2 . 16444 1 955 . 1 1 84 84 PRO HG3 H 1 1.941 0.02 . 1 . . . . 84 PRO HG3 . 16444 1 956 . 1 1 84 84 PRO C C 13 177.213 0.2 . 1 . . . . 84 PRO C . 16444 1 957 . 1 1 84 84 PRO CA C 13 65.855 0.2 . 1 . . . . 84 PRO CA . 16444 1 958 . 1 1 84 84 PRO CB C 13 31.643 0.2 . 1 . . . . 84 PRO CB . 16444 1 959 . 1 1 84 84 PRO CD C 13 50.658 0.2 . 1 . . . . 84 PRO CD . 16444 1 960 . 1 1 84 84 PRO CG C 13 28.138 0.2 . 1 . . . . 84 PRO CG . 16444 1 961 . 1 1 85 85 ASP H H 1 8.060 0.02 . 1 . . . . 85 ASP H . 16444 1 962 . 1 1 85 85 ASP HA H 1 4.401 0.02 . 1 . . . . 85 ASP HA . 16444 1 963 . 1 1 85 85 ASP HB2 H 1 2.643 0.02 . 1 . . . . 85 ASP HB2 . 16444 1 964 . 1 1 85 85 ASP HB3 H 1 2.643 0.02 . 1 . . . . 85 ASP HB3 . 16444 1 965 . 1 1 85 85 ASP C C 13 177.356 0.2 . 1 . . . . 85 ASP C . 16444 1 966 . 1 1 85 85 ASP CA C 13 57.405 0.2 . 1 . . . . 85 ASP CA . 16444 1 967 . 1 1 85 85 ASP CB C 13 40.914 0.2 . 1 . . . . 85 ASP CB . 16444 1 968 . 1 1 85 85 ASP N N 15 115.817 0.2 . 1 . . . . 85 ASP N . 16444 1 969 . 1 1 86 86 THR H H 1 7.839 0.02 . 1 . . . . 86 THR H . 16444 1 970 . 1 1 86 86 THR HA H 1 3.930 0.02 . 1 . . . . 86 THR HA . 16444 1 971 . 1 1 86 86 THR HB H 1 4.358 0.02 . 1 . . . . 86 THR HB . 16444 1 972 . 1 1 86 86 THR HG21 H 1 1.279 0.02 . 1 . . . . 86 THR HG21 . 16444 1 973 . 1 1 86 86 THR HG22 H 1 1.279 0.02 . 1 . . . . 86 THR HG22 . 16444 1 974 . 1 1 86 86 THR HG23 H 1 1.279 0.02 . 1 . . . . 86 THR HG23 . 16444 1 975 . 1 1 86 86 THR C C 13 175.149 0.2 . 1 . . . . 86 THR C . 16444 1 976 . 1 1 86 86 THR CA C 13 66.328 0.2 . 1 . . . . 86 THR CA . 16444 1 977 . 1 1 86 86 THR CB C 13 68.195 0.2 . 1 . . . . 86 THR CB . 16444 1 978 . 1 1 86 86 THR CG2 C 13 22.130 0.2 . 1 . . . . 86 THR CG2 . 16444 1 979 . 1 1 86 86 THR N N 15 118.424 0.2 . 1 . . . . 86 THR N . 16444 1 980 . 1 1 87 87 LEU H H 1 7.625 0.02 . 1 . . . . 87 LEU H . 16444 1 981 . 1 1 87 87 LEU HA H 1 4.077 0.02 . 1 . . . . 87 LEU HA . 16444 1 982 . 1 1 87 87 LEU HB2 H 1 1.797 0.02 . 1 . . . . 87 LEU HB2 . 16444 1 983 . 1 1 87 87 LEU HB3 H 1 1.414 0.02 . 1 . . . . 87 LEU HB3 . 16444 1 984 . 1 1 87 87 LEU HD11 H 1 0.703 0.02 . 1 . . . . 87 LEU HD11 . 16444 1 985 . 1 1 87 87 LEU HD12 H 1 0.703 0.02 . 1 . . . . 87 LEU HD12 . 16444 1 986 . 1 1 87 87 LEU HD13 H 1 0.703 0.02 . 1 . . . . 87 LEU HD13 . 16444 1 987 . 1 1 87 87 LEU HD21 H 1 0.718 0.02 . 1 . . . . 87 LEU HD21 . 16444 1 988 . 1 1 87 87 LEU HD22 H 1 0.718 0.02 . 1 . . . . 87 LEU HD22 . 16444 1 989 . 1 1 87 87 LEU HD23 H 1 0.718 0.02 . 1 . . . . 87 LEU HD23 . 16444 1 990 . 1 1 87 87 LEU HG H 1 1.617 0.02 . 1 . . . . 87 LEU HG . 16444 1 991 . 1 1 87 87 LEU C C 13 177.448 0.2 . 1 . . . . 87 LEU C . 16444 1 992 . 1 1 87 87 LEU CA C 13 57.697 0.2 . 1 . . . . 87 LEU CA . 16444 1 993 . 1 1 87 87 LEU CB C 13 42.507 0.2 . 1 . . . . 87 LEU CB . 16444 1 994 . 1 1 87 87 LEU CD1 C 13 25.860 0.2 . 1 . . . . 87 LEU CD1 . 16444 1 995 . 1 1 87 87 LEU CD2 C 13 24.405 0.2 . 1 . . . . 87 LEU CD2 . 16444 1 996 . 1 1 87 87 LEU CG C 13 26.652 0.2 . 1 . . . . 87 LEU CG . 16444 1 997 . 1 1 87 87 LEU N N 15 119.242 0.2 . 1 . . . . 87 LEU N . 16444 1 998 . 1 1 88 88 ARG H H 1 8.603 0.02 . 1 . . . . 88 ARG H . 16444 1 999 . 1 1 88 88 ARG HA H 1 3.666 0.02 . 1 . . . . 88 ARG HA . 16444 1 1000 . 1 1 88 88 ARG HB2 H 1 1.954 0.02 . 1 . . . . 88 ARG HB2 . 16444 1 1001 . 1 1 88 88 ARG HB3 H 1 2.020 0.02 . 1 . . . . 88 ARG HB3 . 16444 1 1002 . 1 1 88 88 ARG HD2 H 1 3.146 0.02 . 1 . . . . 88 ARG HD2 . 16444 1 1003 . 1 1 88 88 ARG HD3 H 1 3.315 0.02 . 1 . . . . 88 ARG HD3 . 16444 1 1004 . 1 1 88 88 ARG HG2 H 1 1.382 0.02 . 1 . . . . 88 ARG HG2 . 16444 1 1005 . 1 1 88 88 ARG HG3 H 1 1.490 0.02 . 1 . . . . 88 ARG HG3 . 16444 1 1006 . 1 1 88 88 ARG C C 13 175.896 0.2 . 1 . . . . 88 ARG C . 16444 1 1007 . 1 1 88 88 ARG CA C 13 61.018 0.2 . 1 . . . . 88 ARG CA . 16444 1 1008 . 1 1 88 88 ARG CB C 13 30.224 0.2 . 1 . . . . 88 ARG CB . 16444 1 1009 . 1 1 88 88 ARG CD C 13 43.105 0.2 . 1 . . . . 88 ARG CD . 16444 1 1010 . 1 1 88 88 ARG CG C 13 28.102 0.2 . 1 . . . . 88 ARG CG . 16444 1 1011 . 1 1 88 88 ARG N N 15 118.881 0.2 . 1 . . . . 88 ARG N . 16444 1 1012 . 1 1 89 89 ARG H H 1 7.768 0.02 . 1 . . . . 89 ARG H . 16444 1 1013 . 1 1 89 89 ARG HA H 1 4.098 0.02 . 1 . . . . 89 ARG HA . 16444 1 1014 . 1 1 89 89 ARG HB2 H 1 1.970 0.02 . 1 . . . . 89 ARG HB2 . 16444 1 1015 . 1 1 89 89 ARG HB3 H 1 1.970 0.02 . 1 . . . . 89 ARG HB3 . 16444 1 1016 . 1 1 89 89 ARG HD2 H 1 3.227 0.02 . 1 . . . . 89 ARG HD2 . 16444 1 1017 . 1 1 89 89 ARG HD3 H 1 3.227 0.02 . 1 . . . . 89 ARG HD3 . 16444 1 1018 . 1 1 89 89 ARG HG2 H 1 1.711 0.02 . 1 . . . . 89 ARG HG2 . 16444 1 1019 . 1 1 89 89 ARG HG3 H 1 1.809 0.02 . 1 . . . . 89 ARG HG3 . 16444 1 1020 . 1 1 89 89 ARG C C 13 178.236 0.2 . 1 . . . . 89 ARG C . 16444 1 1021 . 1 1 89 89 ARG CA C 13 59.319 0.2 . 1 . . . . 89 ARG CA . 16444 1 1022 . 1 1 89 89 ARG CB C 13 30.261 0.2 . 1 . . . . 89 ARG CB . 16444 1 1023 . 1 1 89 89 ARG CD C 13 43.339 0.2 . 1 . . . . 89 ARG CD . 16444 1 1024 . 1 1 89 89 ARG CG C 13 27.614 0.2 . 1 . . . . 89 ARG CG . 16444 1 1025 . 1 1 89 89 ARG N N 15 116.020 0.2 . 1 . . . . 89 ARG N . 16444 1 1026 . 1 1 90 90 VAL H H 1 7.858 0.02 . 1 . . . . 90 VAL H . 16444 1 1027 . 1 1 90 90 VAL HA H 1 3.880 0.02 . 1 . . . . 90 VAL HA . 16444 1 1028 . 1 1 90 90 VAL HB H 1 2.216 0.02 . 1 . . . . 90 VAL HB . 16444 1 1029 . 1 1 90 90 VAL HG11 H 1 0.792 0.02 . 1 . . . . 90 VAL HG11 . 16444 1 1030 . 1 1 90 90 VAL HG12 H 1 0.792 0.02 . 1 . . . . 90 VAL HG12 . 16444 1 1031 . 1 1 90 90 VAL HG13 H 1 0.792 0.02 . 1 . . . . 90 VAL HG13 . 16444 1 1032 . 1 1 90 90 VAL HG21 H 1 1.107 0.02 . 1 . . . . 90 VAL HG21 . 16444 1 1033 . 1 1 90 90 VAL HG22 H 1 1.107 0.02 . 1 . . . . 90 VAL HG22 . 16444 1 1034 . 1 1 90 90 VAL HG23 H 1 1.107 0.02 . 1 . . . . 90 VAL HG23 . 16444 1 1035 . 1 1 90 90 VAL C C 13 176.964 0.2 . 1 . . . . 90 VAL C . 16444 1 1036 . 1 1 90 90 VAL CA C 13 65.464 0.2 . 1 . . . . 90 VAL CA . 16444 1 1037 . 1 1 90 90 VAL CB C 13 32.296 0.2 . 1 . . . . 90 VAL CB . 16444 1 1038 . 1 1 90 90 VAL CG1 C 13 21.432 0.2 . 1 . . . . 90 VAL CG1 . 16444 1 1039 . 1 1 90 90 VAL CG2 C 13 21.992 0.2 . 1 . . . . 90 VAL CG2 . 16444 1 1040 . 1 1 90 90 VAL N N 15 115.768 0.2 . 1 . . . . 90 VAL N . 16444 1 1041 . 1 1 91 91 PHE H H 1 8.251 0.02 . 1 . . . . 91 PHE H . 16444 1 1042 . 1 1 91 91 PHE HA H 1 4.534 0.02 . 1 . . . . 91 PHE HA . 16444 1 1043 . 1 1 91 91 PHE HB2 H 1 3.031 0.02 . 1 . . . . 91 PHE HB2 . 16444 1 1044 . 1 1 91 91 PHE HB3 H 1 3.218 0.02 . 1 . . . . 91 PHE HB3 . 16444 1 1045 . 1 1 91 91 PHE HD1 H 1 7.759 0.02 . 3 . . . . 91 PHE HD1 . 16444 1 1046 . 1 1 91 91 PHE HD2 H 1 7.759 0.02 . 3 . . . . 91 PHE HD2 . 16444 1 1047 . 1 1 91 91 PHE HE1 H 1 7.023 0.02 . 3 . . . . 91 PHE HE1 . 16444 1 1048 . 1 1 91 91 PHE HE2 H 1 7.023 0.02 . 3 . . . . 91 PHE HE2 . 16444 1 1049 . 1 1 91 91 PHE HZ H 1 7.084 0.02 . 1 . . . . 91 PHE HZ . 16444 1 1050 . 1 1 91 91 PHE C C 13 176.571 0.2 . 1 . . . . 91 PHE C . 16444 1 1051 . 1 1 91 91 PHE CA C 13 62.864 0.2 . 1 . . . . 91 PHE CA . 16444 1 1052 . 1 1 91 91 PHE CB C 13 38.776 0.2 . 1 . . . . 91 PHE CB . 16444 1 1053 . 1 1 91 91 PHE CD1 C 13 132.041 0.2 . 3 . . . . 91 PHE CD1 . 16444 1 1054 . 1 1 91 91 PHE CD2 C 13 132.041 0.2 . 3 . . . . 91 PHE CD2 . 16444 1 1055 . 1 1 91 91 PHE CE1 C 13 130.583 0.2 . 3 . . . . 91 PHE CE1 . 16444 1 1056 . 1 1 91 91 PHE CE2 C 13 130.583 0.2 . 3 . . . . 91 PHE CE2 . 16444 1 1057 . 1 1 91 91 PHE CZ C 13 131.378 0.2 . 1 . . . . 91 PHE CZ . 16444 1 1058 . 1 1 91 91 PHE N N 15 116.162 0.2 . 1 . . . . 91 PHE N . 16444 1 1059 . 1 1 92 92 GLU H H 1 8.723 0.02 . 1 . . . . 92 GLU H . 16444 1 1060 . 1 1 92 92 GLU HA H 1 5.071 0.02 . 1 . . . . 92 GLU HA . 16444 1 1061 . 1 1 92 92 GLU HB2 H 1 2.105 0.02 . 1 . . . . 92 GLU HB2 . 16444 1 1062 . 1 1 92 92 GLU HB3 H 1 2.266 0.02 . 1 . . . . 92 GLU HB3 . 16444 1 1063 . 1 1 92 92 GLU HG2 H 1 2.474 0.02 . 1 . . . . 92 GLU HG2 . 16444 1 1064 . 1 1 92 92 GLU HG3 H 1 2.545 0.02 . 1 . . . . 92 GLU HG3 . 16444 1 1065 . 1 1 92 92 GLU C C 13 176.732 0.2 . 1 . . . . 92 GLU C . 16444 1 1066 . 1 1 92 92 GLU CA C 13 57.566 0.2 . 1 . . . . 92 GLU CA . 16444 1 1067 . 1 1 92 92 GLU CB C 13 28.810 0.2 . 1 . . . . 92 GLU CB . 16444 1 1068 . 1 1 92 92 GLU CG C 13 37.468 0.2 . 1 . . . . 92 GLU CG . 16444 1 1069 . 1 1 92 92 GLU N N 15 119.344 0.2 . 1 . . . . 92 GLU N . 16444 1 1070 . 1 1 93 93 LYS H H 1 6.896 0.02 . 1 . . . . 93 LYS H . 16444 1 1071 . 1 1 93 93 LYS HA H 1 3.914 0.02 . 1 . . . . 93 LYS HA . 16444 1 1072 . 1 1 93 93 LYS HB2 H 1 1.154 0.02 . 1 . . . . 93 LYS HB2 . 16444 1 1073 . 1 1 93 93 LYS HB3 H 1 1.459 0.02 . 1 . . . . 93 LYS HB3 . 16444 1 1074 . 1 1 93 93 LYS HD2 H 1 1.513 0.02 . 1 . . . . 93 LYS HD2 . 16444 1 1075 . 1 1 93 93 LYS HD3 H 1 1.556 0.02 . 1 . . . . 93 LYS HD3 . 16444 1 1076 . 1 1 93 93 LYS HE2 H 1 2.884 0.02 . 1 . . . . 93 LYS HE2 . 16444 1 1077 . 1 1 93 93 LYS HE3 H 1 2.884 0.02 . 1 . . . . 93 LYS HE3 . 16444 1 1078 . 1 1 93 93 LYS HG2 H 1 1.145 0.02 . 1 . . . . 93 LYS HG2 . 16444 1 1079 . 1 1 93 93 LYS HG3 H 1 0.951 0.02 . 1 . . . . 93 LYS HG3 . 16444 1 1080 . 1 1 93 93 LYS C C 13 176.271 0.2 . 1 . . . . 93 LYS C . 16444 1 1081 . 1 1 93 93 LYS CA C 13 58.125 0.2 . 1 . . . . 93 LYS CA . 16444 1 1082 . 1 1 93 93 LYS CB C 13 31.909 0.2 . 1 . . . . 93 LYS CB . 16444 1 1083 . 1 1 93 93 LYS CD C 13 28.622 0.2 . 1 . . . . 93 LYS CD . 16444 1 1084 . 1 1 93 93 LYS CE C 13 41.793 0.2 . 1 . . . . 93 LYS CE . 16444 1 1085 . 1 1 93 93 LYS CG C 13 24.308 0.2 . 1 . . . . 93 LYS CG . 16444 1 1086 . 1 1 93 93 LYS N N 15 118.414 0.2 . 1 . . . . 93 LYS N . 16444 1 1087 . 1 1 94 94 TYR H H 1 7.672 0.02 . 1 . . . . 94 TYR H . 16444 1 1088 . 1 1 94 94 TYR HA H 1 4.332 0.02 . 1 . . . . 94 TYR HA . 16444 1 1089 . 1 1 94 94 TYR HB2 H 1 2.849 0.02 . 1 . . . . 94 TYR HB2 . 16444 1 1090 . 1 1 94 94 TYR HB3 H 1 3.402 0.02 . 1 . . . . 94 TYR HB3 . 16444 1 1091 . 1 1 94 94 TYR HD1 H 1 7.286 0.02 . 3 . . . . 94 TYR HD1 . 16444 1 1092 . 1 1 94 94 TYR HD2 H 1 7.286 0.02 . 3 . . . . 94 TYR HD2 . 16444 1 1093 . 1 1 94 94 TYR HE1 H 1 6.638 0.02 . 3 . . . . 94 TYR HE1 . 16444 1 1094 . 1 1 94 94 TYR HE2 H 1 6.638 0.02 . 3 . . . . 94 TYR HE2 . 16444 1 1095 . 1 1 94 94 TYR C C 13 173.364 0.2 . 1 . . . . 94 TYR C . 16444 1 1096 . 1 1 94 94 TYR CA C 13 58.998 0.2 . 1 . . . . 94 TYR CA . 16444 1 1097 . 1 1 94 94 TYR CB C 13 39.375 0.2 . 1 . . . . 94 TYR CB . 16444 1 1098 . 1 1 94 94 TYR CD1 C 13 132.801 0.2 . 3 . . . . 94 TYR CD1 . 16444 1 1099 . 1 1 94 94 TYR CD2 C 13 132.801 0.2 . 3 . . . . 94 TYR CD2 . 16444 1 1100 . 1 1 94 94 TYR CE1 C 13 118.347 0.2 . 3 . . . . 94 TYR CE1 . 16444 1 1101 . 1 1 94 94 TYR CE2 C 13 118.347 0.2 . 3 . . . . 94 TYR CE2 . 16444 1 1102 . 1 1 94 94 TYR N N 15 115.228 0.2 . 1 . . . . 94 TYR N . 16444 1 1103 . 1 1 95 95 GLY H H 1 7.377 0.02 . 1 . . . . 95 GLY H . 16444 1 1104 . 1 1 95 95 GLY HA2 H 1 3.861 0.02 . 1 . . . . 95 GLY HA2 . 16444 1 1105 . 1 1 95 95 GLY HA3 H 1 4.739 0.02 . 1 . . . . 95 GLY HA3 . 16444 1 1106 . 1 1 95 95 GLY C C 13 170.473 0.2 . 1 . . . . 95 GLY C . 16444 1 1107 . 1 1 95 95 GLY CA C 13 44.261 0.2 . 1 . . . . 95 GLY CA . 16444 1 1108 . 1 1 95 95 GLY N N 15 104.816 0.2 . 1 . . . . 95 GLY N . 16444 1 1109 . 1 1 96 96 ARG H H 1 7.973 0.02 . 1 . . . . 96 ARG H . 16444 1 1110 . 1 1 96 96 ARG HA H 1 4.340 0.02 . 1 . . . . 96 ARG HA . 16444 1 1111 . 1 1 96 96 ARG HB2 H 1 1.803 0.02 . 1 . . . . 96 ARG HB2 . 16444 1 1112 . 1 1 96 96 ARG HB3 H 1 1.892 0.02 . 1 . . . . 96 ARG HB3 . 16444 1 1113 . 1 1 96 96 ARG HD2 H 1 3.107 0.02 . 1 . . . . 96 ARG HD2 . 16444 1 1114 . 1 1 96 96 ARG HD3 H 1 3.107 0.02 . 1 . . . . 96 ARG HD3 . 16444 1 1115 . 1 1 96 96 ARG HG2 H 1 1.551 0.02 . 1 . . . . 96 ARG HG2 . 16444 1 1116 . 1 1 96 96 ARG HG3 H 1 1.551 0.02 . 1 . . . . 96 ARG HG3 . 16444 1 1117 . 1 1 96 96 ARG C C 13 175.939 0.2 . 1 . . . . 96 ARG C . 16444 1 1118 . 1 1 96 96 ARG CA C 13 57.446 0.2 . 1 . . . . 96 ARG CA . 16444 1 1119 . 1 1 96 96 ARG CB C 13 30.712 0.2 . 1 . . . . 96 ARG CB . 16444 1 1120 . 1 1 96 96 ARG CD C 13 43.371 0.2 . 1 . . . . 96 ARG CD . 16444 1 1121 . 1 1 96 96 ARG CG C 13 26.984 0.2 . 1 . . . . 96 ARG CG . 16444 1 1122 . 1 1 96 96 ARG N N 15 115.749 0.2 . 1 . . . . 96 ARG N . 16444 1 1123 . 1 1 97 97 VAL H H 1 8.877 0.02 . 1 . . . . 97 VAL H . 16444 1 1124 . 1 1 97 97 VAL HA H 1 3.762 0.02 . 1 . . . . 97 VAL HA . 16444 1 1125 . 1 1 97 97 VAL HB H 1 1.864 0.02 . 1 . . . . 97 VAL HB . 16444 1 1126 . 1 1 97 97 VAL HG11 H 1 0.429 0.02 . 1 . . . . 97 VAL HG11 . 16444 1 1127 . 1 1 97 97 VAL HG12 H 1 0.429 0.02 . 1 . . . . 97 VAL HG12 . 16444 1 1128 . 1 1 97 97 VAL HG13 H 1 0.429 0.02 . 1 . . . . 97 VAL HG13 . 16444 1 1129 . 1 1 97 97 VAL HG21 H 1 0.532 0.02 . 1 . . . . 97 VAL HG21 . 16444 1 1130 . 1 1 97 97 VAL HG22 H 1 0.532 0.02 . 1 . . . . 97 VAL HG22 . 16444 1 1131 . 1 1 97 97 VAL HG23 H 1 0.532 0.02 . 1 . . . . 97 VAL HG23 . 16444 1 1132 . 1 1 97 97 VAL C C 13 175.748 0.2 . 1 . . . . 97 VAL C . 16444 1 1133 . 1 1 97 97 VAL CA C 13 61.745 0.2 . 1 . . . . 97 VAL CA . 16444 1 1134 . 1 1 97 97 VAL CB C 13 33.439 0.2 . 1 . . . . 97 VAL CB . 16444 1 1135 . 1 1 97 97 VAL CG1 C 13 22.075 0.2 . 1 . . . . 97 VAL CG1 . 16444 1 1136 . 1 1 97 97 VAL CG2 C 13 22.301 0.2 . 1 . . . . 97 VAL CG2 . 16444 1 1137 . 1 1 97 97 VAL N N 15 129.345 0.2 . 1 . . . . 97 VAL N . 16444 1 1138 . 1 1 98 98 GLY H H 1 9.047 0.02 . 1 . . . . 98 GLY H . 16444 1 1139 . 1 1 98 98 GLY HA2 H 1 4.326 0.02 . 1 . . . . 98 GLY HA2 . 16444 1 1140 . 1 1 98 98 GLY HA3 H 1 3.319 0.02 . 1 . . . . 98 GLY HA3 . 16444 1 1141 . 1 1 98 98 GLY C C 13 172.142 0.2 . 1 . . . . 98 GLY C . 16444 1 1142 . 1 1 98 98 GLY CA C 13 45.967 0.2 . 1 . . . . 98 GLY CA . 16444 1 1143 . 1 1 98 98 GLY N N 15 115.216 0.2 . 1 . . . . 98 GLY N . 16444 1 1144 . 1 1 99 99 ASP H H 1 7.387 0.02 . 1 . . . . 99 ASP H . 16444 1 1145 . 1 1 99 99 ASP HA H 1 4.667 0.02 . 1 . . . . 99 ASP HA . 16444 1 1146 . 1 1 99 99 ASP HB2 H 1 2.144 0.02 . 1 . . . . 99 ASP HB2 . 16444 1 1147 . 1 1 99 99 ASP HB3 H 1 2.758 0.02 . 1 . . . . 99 ASP HB3 . 16444 1 1148 . 1 1 99 99 ASP C C 13 172.545 0.2 . 1 . . . . 99 ASP C . 16444 1 1149 . 1 1 99 99 ASP CA C 13 54.615 0.2 . 1 . . . . 99 ASP CA . 16444 1 1150 . 1 1 99 99 ASP CB C 13 44.381 0.2 . 1 . . . . 99 ASP CB . 16444 1 1151 . 1 1 99 99 ASP N N 15 117.198 0.2 . 1 . . . . 99 ASP N . 16444 1 1152 . 1 1 100 100 VAL H H 1 7.810 0.02 . 1 . . . . 100 VAL H . 16444 1 1153 . 1 1 100 100 VAL HA H 1 4.704 0.02 . 1 . . . . 100 VAL HA . 16444 1 1154 . 1 1 100 100 VAL HB H 1 1.938 0.02 . 1 . . . . 100 VAL HB . 16444 1 1155 . 1 1 100 100 VAL HG11 H 1 0.831 0.02 . 1 . . . . 100 VAL HG11 . 16444 1 1156 . 1 1 100 100 VAL HG12 H 1 0.831 0.02 . 1 . . . . 100 VAL HG12 . 16444 1 1157 . 1 1 100 100 VAL HG13 H 1 0.831 0.02 . 1 . . . . 100 VAL HG13 . 16444 1 1158 . 1 1 100 100 VAL HG21 H 1 0.884 0.02 . 1 . . . . 100 VAL HG21 . 16444 1 1159 . 1 1 100 100 VAL HG22 H 1 0.884 0.02 . 1 . . . . 100 VAL HG22 . 16444 1 1160 . 1 1 100 100 VAL HG23 H 1 0.884 0.02 . 1 . . . . 100 VAL HG23 . 16444 1 1161 . 1 1 100 100 VAL C C 13 172.647 0.2 . 1 . . . . 100 VAL C . 16444 1 1162 . 1 1 100 100 VAL CA C 13 61.787 0.2 . 1 . . . . 100 VAL CA . 16444 1 1163 . 1 1 100 100 VAL CB C 13 34.805 0.2 . 1 . . . . 100 VAL CB . 16444 1 1164 . 1 1 100 100 VAL CG1 C 13 21.792 0.2 . 1 . . . . 100 VAL CG1 . 16444 1 1165 . 1 1 100 100 VAL CG2 C 13 21.798 0.2 . 1 . . . . 100 VAL CG2 . 16444 1 1166 . 1 1 100 100 VAL N N 15 121.493 0.2 . 1 . . . . 100 VAL N . 16444 1 1167 . 1 1 101 101 TYR H H 1 9.092 0.02 . 1 . . . . 101 TYR H . 16444 1 1168 . 1 1 101 101 TYR HA H 1 5.085 0.02 . 1 . . . . 101 TYR HA . 16444 1 1169 . 1 1 101 101 TYR HB2 H 1 2.781 0.02 . 1 . . . . 101 TYR HB2 . 16444 1 1170 . 1 1 101 101 TYR HB3 H 1 3.179 0.02 . 1 . . . . 101 TYR HB3 . 16444 1 1171 . 1 1 101 101 TYR HD1 H 1 7.048 0.02 . 3 . . . . 101 TYR HD1 . 16444 1 1172 . 1 1 101 101 TYR HD2 H 1 7.048 0.02 . 3 . . . . 101 TYR HD2 . 16444 1 1173 . 1 1 101 101 TYR HE1 H 1 6.773 0.02 . 3 . . . . 101 TYR HE1 . 16444 1 1174 . 1 1 101 101 TYR HE2 H 1 6.773 0.02 . 3 . . . . 101 TYR HE2 . 16444 1 1175 . 1 1 101 101 TYR C C 13 172.622 0.2 . 1 . . . . 101 TYR C . 16444 1 1176 . 1 1 101 101 TYR CA C 13 55.357 0.2 . 1 . . . . 101 TYR CA . 16444 1 1177 . 1 1 101 101 TYR CB C 13 41.450 0.2 . 1 . . . . 101 TYR CB . 16444 1 1178 . 1 1 101 101 TYR CD1 C 13 132.700 0.2 . 3 . . . . 101 TYR CD1 . 16444 1 1179 . 1 1 101 101 TYR CD2 C 13 132.700 0.2 . 3 . . . . 101 TYR CD2 . 16444 1 1180 . 1 1 101 101 TYR CE1 C 13 117.933 0.2 . 3 . . . . 101 TYR CE1 . 16444 1 1181 . 1 1 101 101 TYR CE2 C 13 117.933 0.2 . 3 . . . . 101 TYR CE2 . 16444 1 1182 . 1 1 101 101 TYR N N 15 127.543 0.2 . 1 . . . . 101 TYR N . 16444 1 1183 . 1 1 102 102 ILE H H 1 8.553 0.02 . 1 . . . . 102 ILE H . 16444 1 1184 . 1 1 102 102 ILE HA H 1 4.418 0.02 . 1 . . . . 102 ILE HA . 16444 1 1185 . 1 1 102 102 ILE HB H 1 1.693 0.02 . 1 . . . . 102 ILE HB . 16444 1 1186 . 1 1 102 102 ILE HD11 H 1 0.583 0.02 . 1 . . . . 102 ILE HD11 . 16444 1 1187 . 1 1 102 102 ILE HD12 H 1 0.583 0.02 . 1 . . . . 102 ILE HD12 . 16444 1 1188 . 1 1 102 102 ILE HD13 H 1 0.583 0.02 . 1 . . . . 102 ILE HD13 . 16444 1 1189 . 1 1 102 102 ILE HG12 H 1 0.764 0.02 . 1 . . . . 102 ILE HG12 . 16444 1 1190 . 1 1 102 102 ILE HG13 H 1 0.764 0.02 . 1 . . . . 102 ILE HG13 . 16444 1 1191 . 1 1 102 102 ILE HG21 H 1 0.727 0.02 . 1 . . . . 102 ILE HG21 . 16444 1 1192 . 1 1 102 102 ILE HG22 H 1 0.727 0.02 . 1 . . . . 102 ILE HG22 . 16444 1 1193 . 1 1 102 102 ILE HG23 H 1 0.727 0.02 . 1 . . . . 102 ILE HG23 . 16444 1 1194 . 1 1 102 102 ILE C C 13 172.031 0.2 . 1 . . . . 102 ILE C . 16444 1 1195 . 1 1 102 102 ILE CA C 13 58.173 0.2 . 1 . . . . 102 ILE CA . 16444 1 1196 . 1 1 102 102 ILE CB C 13 38.963 0.2 . 1 . . . . 102 ILE CB . 16444 1 1197 . 1 1 102 102 ILE CD1 C 13 13.357 0.2 . 1 . . . . 102 ILE CD1 . 16444 1 1198 . 1 1 102 102 ILE CG1 C 13 27.318 0.2 . 1 . . . . 102 ILE CG1 . 16444 1 1199 . 1 1 102 102 ILE CG2 C 13 16.673 0.2 . 1 . . . . 102 ILE CG2 . 16444 1 1200 . 1 1 102 102 ILE N N 15 129.138 0.2 . 1 . . . . 102 ILE N . 16444 1 1201 . 1 1 103 103 PRO HA H 1 4.056 0.02 . 1 . . . . 103 PRO HA . 16444 1 1202 . 1 1 103 103 PRO HB2 H 1 1.560 0.02 . 1 . . . . 103 PRO HB2 . 16444 1 1203 . 1 1 103 103 PRO HB3 H 1 2.198 0.02 . 1 . . . . 103 PRO HB3 . 16444 1 1204 . 1 1 103 103 PRO HD2 H 1 3.088 0.02 . 1 . . . . 103 PRO HD2 . 16444 1 1205 . 1 1 103 103 PRO HD3 H 1 3.363 0.02 . 1 . . . . 103 PRO HD3 . 16444 1 1206 . 1 1 103 103 PRO HG2 H 1 1.577 0.02 . 1 . . . . 103 PRO HG2 . 16444 1 1207 . 1 1 103 103 PRO HG3 H 1 1.577 0.02 . 1 . . . . 103 PRO HG3 . 16444 1 1208 . 1 1 103 103 PRO C C 13 174.586 0.2 . 1 . . . . 103 PRO C . 16444 1 1209 . 1 1 103 103 PRO CA C 13 62.489 0.2 . 1 . . . . 103 PRO CA . 16444 1 1210 . 1 1 103 103 PRO CB C 13 31.862 0.2 . 1 . . . . 103 PRO CB . 16444 1 1211 . 1 1 103 103 PRO CD C 13 50.454 0.2 . 1 . . . . 103 PRO CD . 16444 1 1212 . 1 1 103 103 PRO CG C 13 27.472 0.2 . 1 . . . . 103 PRO CG . 16444 1 1213 . 1 1 104 104 ARG H H 1 8.206 0.02 . 1 . . . . 104 ARG H . 16444 1 1214 . 1 1 104 104 ARG HA H 1 4.195 0.02 . 1 . . . . 104 ARG HA . 16444 1 1215 . 1 1 104 104 ARG HB2 H 1 2.109 0.02 . 1 . . . . 104 ARG HB2 . 16444 1 1216 . 1 1 104 104 ARG HB3 H 1 2.232 0.02 . 1 . . . . 104 ARG HB3 . 16444 1 1217 . 1 1 104 104 ARG HG2 H 1 2.213 0.02 . 1 . . . . 104 ARG HG2 . 16444 1 1218 . 1 1 104 104 ARG HG3 H 1 2.446 0.02 . 1 . . . . 104 ARG HG3 . 16444 1 1219 . 1 1 104 104 ARG C C 13 175.512 0.2 . 1 . . . . 104 ARG C . 16444 1 1220 . 1 1 104 104 ARG CA C 13 54.600 0.2 . 1 . . . . 104 ARG CA . 16444 1 1221 . 1 1 104 104 ARG CB C 13 32.730 0.2 . 1 . . . . 104 ARG CB . 16444 1 1222 . 1 1 104 104 ARG CG C 13 30.785 0.2 . 1 . . . . 104 ARG CG . 16444 1 1223 . 1 1 104 104 ARG N N 15 119.626 0.2 . 1 . . . . 104 ARG N . 16444 1 1224 . 1 1 105 105 ASP H H 1 8.581 0.02 . 1 . . . . 105 ASP H . 16444 1 1225 . 1 1 105 105 ASP HA H 1 4.459 0.02 . 1 . . . . 105 ASP HA . 16444 1 1226 . 1 1 105 105 ASP HB2 H 1 2.569 0.02 . 1 . . . . 105 ASP HB2 . 16444 1 1227 . 1 1 105 105 ASP HB3 H 1 2.972 0.02 . 1 . . . . 105 ASP HB3 . 16444 1 1228 . 1 1 105 105 ASP C C 13 176.805 0.2 . 1 . . . . 105 ASP C . 16444 1 1229 . 1 1 105 105 ASP CA C 13 54.919 0.2 . 1 . . . . 105 ASP CA . 16444 1 1230 . 1 1 105 105 ASP CB C 13 43.199 0.2 . 1 . . . . 105 ASP CB . 16444 1 1231 . 1 1 105 105 ASP N N 15 122.661 0.2 . 1 . . . . 105 ASP N . 16444 1 1232 . 1 1 106 106 ARG H H 1 8.480 0.02 . 1 . . . . 106 ARG H . 16444 1 1233 . 1 1 106 106 ARG HA H 1 4.004 0.02 . 1 . . . . 106 ARG HA . 16444 1 1234 . 1 1 106 106 ARG HB2 H 1 1.555 0.02 . 1 . . . . 106 ARG HB2 . 16444 1 1235 . 1 1 106 106 ARG HB3 H 1 1.693 0.02 . 1 . . . . 106 ARG HB3 . 16444 1 1236 . 1 1 106 106 ARG HD2 H 1 3.006 0.02 . 1 . . . . 106 ARG HD2 . 16444 1 1237 . 1 1 106 106 ARG HD3 H 1 3.006 0.02 . 1 . . . . 106 ARG HD3 . 16444 1 1238 . 1 1 106 106 ARG HG2 H 1 1.201 0.02 . 1 . . . . 106 ARG HG2 . 16444 1 1239 . 1 1 106 106 ARG HG3 H 1 1.293 0.02 . 1 . . . . 106 ARG HG3 . 16444 1 1240 . 1 1 106 106 ARG C C 13 175.124 0.2 . 1 . . . . 106 ARG C . 16444 1 1241 . 1 1 106 106 ARG CA C 13 58.006 0.2 . 1 . . . . 106 ARG CA . 16444 1 1242 . 1 1 106 106 ARG CB C 13 30.309 0.2 . 1 . . . . 106 ARG CB . 16444 1 1243 . 1 1 106 106 ARG CD C 13 43.282 0.2 . 1 . . . . 106 ARG CD . 16444 1 1244 . 1 1 106 106 ARG CG C 13 26.511 0.2 . 1 . . . . 106 ARG CG . 16444 1 1245 . 1 1 106 106 ARG N N 15 122.111 0.2 . 1 . . . . 106 ARG N . 16444 1 1246 . 1 1 107 107 TYR H H 1 8.448 0.02 . 1 . . . . 107 TYR H . 16444 1 1247 . 1 1 107 107 TYR HA H 1 4.677 0.02 . 1 . . . . 107 TYR HA . 16444 1 1248 . 1 1 107 107 TYR HB2 H 1 3.095 0.02 . 1 . . . . 107 TYR HB2 . 16444 1 1249 . 1 1 107 107 TYR HB3 H 1 3.192 0.02 . 1 . . . . 107 TYR HB3 . 16444 1 1250 . 1 1 107 107 TYR HD1 H 1 7.219 0.02 . 3 . . . . 107 TYR HD1 . 16444 1 1251 . 1 1 107 107 TYR HD2 H 1 7.219 0.02 . 3 . . . . 107 TYR HD2 . 16444 1 1252 . 1 1 107 107 TYR HE1 H 1 6.792 0.02 . 3 . . . . 107 TYR HE1 . 16444 1 1253 . 1 1 107 107 TYR HE2 H 1 6.792 0.02 . 3 . . . . 107 TYR HE2 . 16444 1 1254 . 1 1 107 107 TYR C C 13 176.720 0.2 . 1 . . . . 107 TYR C . 16444 1 1255 . 1 1 107 107 TYR CA C 13 59.073 0.2 . 1 . . . . 107 TYR CA . 16444 1 1256 . 1 1 107 107 TYR CB C 13 38.641 0.2 . 1 . . . . 107 TYR CB . 16444 1 1257 . 1 1 107 107 TYR CD1 C 13 133.241 0.2 . 3 . . . . 107 TYR CD1 . 16444 1 1258 . 1 1 107 107 TYR CD2 C 13 133.241 0.2 . 3 . . . . 107 TYR CD2 . 16444 1 1259 . 1 1 107 107 TYR CE1 C 13 118.026 0.2 . 3 . . . . 107 TYR CE1 . 16444 1 1260 . 1 1 107 107 TYR CE2 C 13 118.026 0.2 . 3 . . . . 107 TYR CE2 . 16444 1 1261 . 1 1 107 107 TYR N N 15 118.128 0.2 . 1 . . . . 107 TYR N . 16444 1 1262 . 1 1 108 108 THR H H 1 8.927 0.02 . 1 . . . . 108 THR H . 16444 1 1263 . 1 1 108 108 THR HA H 1 4.335 0.02 . 1 . . . . 108 THR HA . 16444 1 1264 . 1 1 108 108 THR HB H 1 4.424 0.02 . 1 . . . . 108 THR HB . 16444 1 1265 . 1 1 108 108 THR HG21 H 1 1.281 0.02 . 1 . . . . 108 THR HG21 . 16444 1 1266 . 1 1 108 108 THR HG22 H 1 1.281 0.02 . 1 . . . . 108 THR HG22 . 16444 1 1267 . 1 1 108 108 THR HG23 H 1 1.281 0.02 . 1 . . . . 108 THR HG23 . 16444 1 1268 . 1 1 108 108 THR C C 13 174.934 0.2 . 1 . . . . 108 THR C . 16444 1 1269 . 1 1 108 108 THR CA C 13 61.825 0.2 . 1 . . . . 108 THR CA . 16444 1 1270 . 1 1 108 108 THR CB C 13 70.339 0.2 . 1 . . . . 108 THR CB . 16444 1 1271 . 1 1 108 108 THR CG2 C 13 21.436 0.2 . 1 . . . . 108 THR CG2 . 16444 1 1272 . 1 1 108 108 THR N N 15 111.175 0.2 . 1 . . . . 108 THR N . 16444 1 1273 . 1 1 109 109 LYS H H 1 7.973 0.02 . 1 . . . . 109 LYS H . 16444 1 1274 . 1 1 109 109 LYS HA H 1 4.003 0.02 . 1 . . . . 109 LYS HA . 16444 1 1275 . 1 1 109 109 LYS HB2 H 1 1.990 0.02 . 1 . . . . 109 LYS HB2 . 16444 1 1276 . 1 1 109 109 LYS HB3 H 1 2.122 0.02 . 1 . . . . 109 LYS HB3 . 16444 1 1277 . 1 1 109 109 LYS HE2 H 1 2.967 0.02 . 1 . . . . 109 LYS HE2 . 16444 1 1278 . 1 1 109 109 LYS HE3 H 1 2.967 0.02 . 1 . . . . 109 LYS HE3 . 16444 1 1279 . 1 1 109 109 LYS HG2 H 1 1.365 0.02 . 1 . . . . 109 LYS HG2 . 16444 1 1280 . 1 1 109 109 LYS HG3 H 1 1.319 0.02 . 1 . . . . 109 LYS HG3 . 16444 1 1281 . 1 1 109 109 LYS C C 13 174.654 0.2 . 1 . . . . 109 LYS C . 16444 1 1282 . 1 1 109 109 LYS CA C 13 57.657 0.2 . 1 . . . . 109 LYS CA . 16444 1 1283 . 1 1 109 109 LYS CB C 13 30.238 0.2 . 1 . . . . 109 LYS CB . 16444 1 1284 . 1 1 109 109 LYS CE C 13 42.141 0.2 . 1 . . . . 109 LYS CE . 16444 1 1285 . 1 1 109 109 LYS CG C 13 25.117 0.2 . 1 . . . . 109 LYS CG . 16444 1 1286 . 1 1 109 109 LYS N N 15 115.276 0.2 . 1 . . . . 109 LYS N . 16444 1 1287 . 1 1 110 110 GLU H H 1 7.884 0.02 . 1 . . . . 110 GLU H . 16444 1 1288 . 1 1 110 110 GLU HA H 1 4.344 0.02 . 1 . . . . 110 GLU HA . 16444 1 1289 . 1 1 110 110 GLU HB2 H 1 1.821 0.02 . 1 . . . . 110 GLU HB2 . 16444 1 1290 . 1 1 110 110 GLU HB3 H 1 2.036 0.02 . 1 . . . . 110 GLU HB3 . 16444 1 1291 . 1 1 110 110 GLU HG2 H 1 2.241 0.02 . 1 . . . . 110 GLU HG2 . 16444 1 1292 . 1 1 110 110 GLU HG3 H 1 2.241 0.02 . 1 . . . . 110 GLU HG3 . 16444 1 1293 . 1 1 110 110 GLU C C 13 175.545 0.2 . 1 . . . . 110 GLU C . 16444 1 1294 . 1 1 110 110 GLU CA C 13 56.148 0.2 . 1 . . . . 110 GLU CA . 16444 1 1295 . 1 1 110 110 GLU CB C 13 31.195 0.2 . 1 . . . . 110 GLU CB . 16444 1 1296 . 1 1 110 110 GLU CG C 13 36.332 0.2 . 1 . . . . 110 GLU CG . 16444 1 1297 . 1 1 110 110 GLU N N 15 119.003 0.2 . 1 . . . . 110 GLU N . 16444 1 1298 . 1 1 111 111 SER H H 1 8.555 0.02 . 1 . . . . 111 SER H . 16444 1 1299 . 1 1 111 111 SER HA H 1 4.318 0.02 . 1 . . . . 111 SER HA . 16444 1 1300 . 1 1 111 111 SER HB2 H 1 3.814 0.02 . 1 . . . . 111 SER HB2 . 16444 1 1301 . 1 1 111 111 SER HB3 H 1 4.002 0.02 . 1 . . . . 111 SER HB3 . 16444 1 1302 . 1 1 111 111 SER C C 13 173.401 0.2 . 1 . . . . 111 SER C . 16444 1 1303 . 1 1 111 111 SER CA C 13 58.315 0.2 . 1 . . . . 111 SER CA . 16444 1 1304 . 1 1 111 111 SER CB C 13 63.911 0.2 . 1 . . . . 111 SER CB . 16444 1 1305 . 1 1 111 111 SER N N 15 116.350 0.2 . 1 . . . . 111 SER N . 16444 1 1306 . 1 1 112 112 ARG H H 1 8.161 0.02 . 1 . . . . 112 ARG H . 16444 1 1307 . 1 1 112 112 ARG HA H 1 4.359 0.02 . 1 . . . . 112 ARG HA . 16444 1 1308 . 1 1 112 112 ARG HB2 H 1 1.337 0.02 . 1 . . . . 112 ARG HB2 . 16444 1 1309 . 1 1 112 112 ARG HB3 H 1 2.119 0.02 . 1 . . . . 112 ARG HB3 . 16444 1 1310 . 1 1 112 112 ARG HD2 H 1 3.145 0.02 . 1 . . . . 112 ARG HD2 . 16444 1 1311 . 1 1 112 112 ARG HD3 H 1 3.145 0.02 . 1 . . . . 112 ARG HD3 . 16444 1 1312 . 1 1 112 112 ARG HG2 H 1 1.525 0.02 . 1 . . . . 112 ARG HG2 . 16444 1 1313 . 1 1 112 112 ARG HG3 H 1 1.525 0.02 . 1 . . . . 112 ARG HG3 . 16444 1 1314 . 1 1 112 112 ARG C C 13 176.039 0.2 . 1 . . . . 112 ARG C . 16444 1 1315 . 1 1 112 112 ARG CA C 13 55.690 0.2 . 1 . . . . 112 ARG CA . 16444 1 1316 . 1 1 112 112 ARG CB C 13 30.892 0.2 . 1 . . . . 112 ARG CB . 16444 1 1317 . 1 1 112 112 ARG CD C 13 43.593 0.2 . 1 . . . . 112 ARG CD . 16444 1 1318 . 1 1 112 112 ARG CG C 13 27.276 0.2 . 1 . . . . 112 ARG CG . 16444 1 1319 . 1 1 112 112 ARG N N 15 121.102 0.2 . 1 . . . . 112 ARG N . 16444 1 1320 . 1 1 113 113 GLY H H 1 8.426 0.02 . 1 . . . . 113 GLY H . 16444 1 1321 . 1 1 113 113 GLY HA2 H 1 3.652 0.02 . 1 . . . . 113 GLY HA2 . 16444 1 1322 . 1 1 113 113 GLY HA3 H 1 4.226 0.02 . 1 . . . . 113 GLY HA3 . 16444 1 1323 . 1 1 113 113 GLY C C 13 170.921 0.2 . 1 . . . . 113 GLY C . 16444 1 1324 . 1 1 113 113 GLY CA C 13 45.868 0.2 . 1 . . . . 113 GLY CA . 16444 1 1325 . 1 1 113 113 GLY N N 15 107.609 0.2 . 1 . . . . 113 GLY N . 16444 1 1326 . 1 1 114 114 PHE H H 1 6.991 0.02 . 1 . . . . 114 PHE H . 16444 1 1327 . 1 1 114 114 PHE HA H 1 5.668 0.02 . 1 . . . . 114 PHE HA . 16444 1 1328 . 1 1 114 114 PHE HB2 H 1 2.830 0.02 . 1 . . . . 114 PHE HB2 . 16444 1 1329 . 1 1 114 114 PHE HB3 H 1 3.201 0.02 . 1 . . . . 114 PHE HB3 . 16444 1 1330 . 1 1 114 114 PHE HD1 H 1 6.691 0.02 . 3 . . . . 114 PHE HD1 . 16444 1 1331 . 1 1 114 114 PHE HD2 H 1 6.691 0.02 . 3 . . . . 114 PHE HD2 . 16444 1 1332 . 1 1 114 114 PHE HE1 H 1 7.221 0.02 . 3 . . . . 114 PHE HE1 . 16444 1 1333 . 1 1 114 114 PHE HE2 H 1 7.221 0.02 . 3 . . . . 114 PHE HE2 . 16444 1 1334 . 1 1 114 114 PHE HZ H 1 7.278 0.02 . 1 . . . . 114 PHE HZ . 16444 1 1335 . 1 1 114 114 PHE C C 13 171.422 0.2 . 1 . . . . 114 PHE C . 16444 1 1336 . 1 1 114 114 PHE CA C 13 54.464 0.2 . 1 . . . . 114 PHE CA . 16444 1 1337 . 1 1 114 114 PHE CB C 13 42.431 0.2 . 1 . . . . 114 PHE CB . 16444 1 1338 . 1 1 114 114 PHE CD1 C 13 132.329 0.2 . 3 . . . . 114 PHE CD1 . 16444 1 1339 . 1 1 114 114 PHE CD2 C 13 132.329 0.2 . 3 . . . . 114 PHE CD2 . 16444 1 1340 . 1 1 114 114 PHE CE1 C 13 131.294 0.2 . 3 . . . . 114 PHE CE1 . 16444 1 1341 . 1 1 114 114 PHE CE2 C 13 131.294 0.2 . 3 . . . . 114 PHE CE2 . 16444 1 1342 . 1 1 114 114 PHE CZ C 13 129.563 0.2 . 1 . . . . 114 PHE CZ . 16444 1 1343 . 1 1 114 114 PHE N N 15 113.200 0.2 . 1 . . . . 114 PHE N . 16444 1 1344 . 1 1 115 115 ALA H H 1 8.900 0.02 . 1 . . . . 115 ALA H . 16444 1 1345 . 1 1 115 115 ALA HA H 1 4.850 0.02 . 1 . . . . 115 ALA HA . 16444 1 1346 . 1 1 115 115 ALA HB1 H 1 0.986 0.02 . 1 . . . . 115 ALA HB1 . 16444 1 1347 . 1 1 115 115 ALA HB2 H 1 0.986 0.02 . 1 . . . . 115 ALA HB2 . 16444 1 1348 . 1 1 115 115 ALA HB3 H 1 0.986 0.02 . 1 . . . . 115 ALA HB3 . 16444 1 1349 . 1 1 115 115 ALA C C 13 174.244 0.2 . 1 . . . . 115 ALA C . 16444 1 1350 . 1 1 115 115 ALA CA C 13 49.717 0.2 . 1 . . . . 115 ALA CA . 16444 1 1351 . 1 1 115 115 ALA CB C 13 26.101 0.2 . 1 . . . . 115 ALA CB . 16444 1 1352 . 1 1 115 115 ALA N N 15 118.209 0.2 . 1 . . . . 115 ALA N . 16444 1 1353 . 1 1 116 116 PHE H H 1 9.056 0.02 . 1 . . . . 116 PHE H . 16444 1 1354 . 1 1 116 116 PHE HA H 1 5.816 0.02 . 1 . . . . 116 PHE HA . 16444 1 1355 . 1 1 116 116 PHE HB2 H 1 2.837 0.02 . 1 . . . . 116 PHE HB2 . 16444 1 1356 . 1 1 116 116 PHE HB3 H 1 2.837 0.02 . 1 . . . . 116 PHE HB3 . 16444 1 1357 . 1 1 116 116 PHE HD1 H 1 7.382 0.02 . 3 . . . . 116 PHE HD1 . 16444 1 1358 . 1 1 116 116 PHE HD2 H 1 7.382 0.02 . 3 . . . . 116 PHE HD2 . 16444 1 1359 . 1 1 116 116 PHE HE1 H 1 7.140 0.02 . 3 . . . . 116 PHE HE1 . 16444 1 1360 . 1 1 116 116 PHE HE2 H 1 7.140 0.02 . 3 . . . . 116 PHE HE2 . 16444 1 1361 . 1 1 116 116 PHE HZ H 1 7.412 0.02 . 1 . . . . 116 PHE HZ . 16444 1 1362 . 1 1 116 116 PHE C C 13 174.324 0.2 . 1 . . . . 116 PHE C . 16444 1 1363 . 1 1 116 116 PHE CA C 13 56.407 0.2 . 1 . . . . 116 PHE CA . 16444 1 1364 . 1 1 116 116 PHE CB C 13 41.455 0.2 . 1 . . . . 116 PHE CB . 16444 1 1365 . 1 1 116 116 PHE CD1 C 13 131.096 0.2 . 3 . . . . 116 PHE CD1 . 16444 1 1366 . 1 1 116 116 PHE CD2 C 13 131.096 0.2 . 3 . . . . 116 PHE CD2 . 16444 1 1367 . 1 1 116 116 PHE CE1 C 13 131.362 0.2 . 3 . . . . 116 PHE CE1 . 16444 1 1368 . 1 1 116 116 PHE CE2 C 13 131.362 0.2 . 3 . . . . 116 PHE CE2 . 16444 1 1369 . 1 1 116 116 PHE CZ C 13 129.718 0.2 . 1 . . . . 116 PHE CZ . 16444 1 1370 . 1 1 116 116 PHE N N 15 116.218 0.2 . 1 . . . . 116 PHE N . 16444 1 1371 . 1 1 117 117 VAL H H 1 8.887 0.02 . 1 . . . . 117 VAL H . 16444 1 1372 . 1 1 117 117 VAL HA H 1 4.346 0.02 . 1 . . . . 117 VAL HA . 16444 1 1373 . 1 1 117 117 VAL HB H 1 1.404 0.02 . 1 . . . . 117 VAL HB . 16444 1 1374 . 1 1 117 117 VAL HG11 H 1 0.306 0.02 . 1 . . . . 117 VAL HG11 . 16444 1 1375 . 1 1 117 117 VAL HG12 H 1 0.306 0.02 . 1 . . . . 117 VAL HG12 . 16444 1 1376 . 1 1 117 117 VAL HG13 H 1 0.306 0.02 . 1 . . . . 117 VAL HG13 . 16444 1 1377 . 1 1 117 117 VAL HG21 H 1 0.329 0.02 . 1 . . . . 117 VAL HG21 . 16444 1 1378 . 1 1 117 117 VAL HG22 H 1 0.329 0.02 . 1 . . . . 117 VAL HG22 . 16444 1 1379 . 1 1 117 117 VAL HG23 H 1 0.329 0.02 . 1 . . . . 117 VAL HG23 . 16444 1 1380 . 1 1 117 117 VAL C C 13 173.344 0.2 . 1 . . . . 117 VAL C . 16444 1 1381 . 1 1 117 117 VAL CA C 13 61.483 0.2 . 1 . . . . 117 VAL CA . 16444 1 1382 . 1 1 117 117 VAL CB C 13 34.000 0.2 . 1 . . . . 117 VAL CB . 16444 1 1383 . 1 1 117 117 VAL CG1 C 13 20.625 0.2 . 1 . . . . 117 VAL CG1 . 16444 1 1384 . 1 1 117 117 VAL CG2 C 13 21.654 0.2 . 1 . . . . 117 VAL CG2 . 16444 1 1385 . 1 1 117 117 VAL N N 15 123.139 0.2 . 1 . . . . 117 VAL N . 16444 1 1386 . 1 1 118 118 ARG H H 1 8.684 0.02 . 1 . . . . 118 ARG H . 16444 1 1387 . 1 1 118 118 ARG HA H 1 5.274 0.02 . 1 . . . . 118 ARG HA . 16444 1 1388 . 1 1 118 118 ARG HB2 H 1 1.431 0.02 . 1 . . . . 118 ARG HB2 . 16444 1 1389 . 1 1 118 118 ARG HB3 H 1 1.732 0.02 . 1 . . . . 118 ARG HB3 . 16444 1 1390 . 1 1 118 118 ARG HD2 H 1 2.926 0.02 . 1 . . . . 118 ARG HD2 . 16444 1 1391 . 1 1 118 118 ARG HD3 H 1 2.926 0.02 . 1 . . . . 118 ARG HD3 . 16444 1 1392 . 1 1 118 118 ARG HG2 H 1 1.102 0.02 . 1 . . . . 118 ARG HG2 . 16444 1 1393 . 1 1 118 118 ARG HG3 H 1 1.102 0.02 . 1 . . . . 118 ARG HG3 . 16444 1 1394 . 1 1 118 118 ARG C C 13 174.452 0.2 . 1 . . . . 118 ARG C . 16444 1 1395 . 1 1 118 118 ARG CA C 13 54.737 0.2 . 1 . . . . 118 ARG CA . 16444 1 1396 . 1 1 118 118 ARG CB C 13 32.342 0.2 . 1 . . . . 118 ARG CB . 16444 1 1397 . 1 1 118 118 ARG CD C 13 43.207 0.2 . 1 . . . . 118 ARG CD . 16444 1 1398 . 1 1 118 118 ARG CG C 13 27.859 0.2 . 1 . . . . 118 ARG CG . 16444 1 1399 . 1 1 118 118 ARG N N 15 125.469 0.2 . 1 . . . . 118 ARG N . 16444 1 1400 . 1 1 119 119 PHE H H 1 9.228 0.02 . 1 . . . . 119 PHE H . 16444 1 1401 . 1 1 119 119 PHE HA H 1 4.868 0.02 . 1 . . . . 119 PHE HA . 16444 1 1402 . 1 1 119 119 PHE HB2 H 1 2.786 0.02 . 1 . . . . 119 PHE HB2 . 16444 1 1403 . 1 1 119 119 PHE HB3 H 1 3.651 0.02 . 1 . . . . 119 PHE HB3 . 16444 1 1404 . 1 1 119 119 PHE HD1 H 1 7.235 0.02 . 3 . . . . 119 PHE HD1 . 16444 1 1405 . 1 1 119 119 PHE HD2 H 1 7.235 0.02 . 3 . . . . 119 PHE HD2 . 16444 1 1406 . 1 1 119 119 PHE HE1 H 1 7.086 0.02 . 3 . . . . 119 PHE HE1 . 16444 1 1407 . 1 1 119 119 PHE HE2 H 1 7.086 0.02 . 3 . . . . 119 PHE HE2 . 16444 1 1408 . 1 1 119 119 PHE HZ H 1 7.479 0.02 . 1 . . . . 119 PHE HZ . 16444 1 1409 . 1 1 119 119 PHE C C 13 174.659 0.2 . 1 . . . . 119 PHE C . 16444 1 1410 . 1 1 119 119 PHE CA C 13 57.622 0.2 . 1 . . . . 119 PHE CA . 16444 1 1411 . 1 1 119 119 PHE CB C 13 42.138 0.2 . 1 . . . . 119 PHE CB . 16444 1 1412 . 1 1 119 119 PHE CD1 C 13 131.850 0.2 . 3 . . . . 119 PHE CD1 . 16444 1 1413 . 1 1 119 119 PHE CD2 C 13 131.850 0.2 . 3 . . . . 119 PHE CD2 . 16444 1 1414 . 1 1 119 119 PHE CE1 C 13 130.930 0.2 . 3 . . . . 119 PHE CE1 . 16444 1 1415 . 1 1 119 119 PHE CE2 C 13 130.930 0.2 . 3 . . . . 119 PHE CE2 . 16444 1 1416 . 1 1 119 119 PHE CZ C 13 129.656 0.2 . 1 . . . . 119 PHE CZ . 16444 1 1417 . 1 1 119 119 PHE N N 15 123.512 0.2 . 1 . . . . 119 PHE N . 16444 1 1418 . 1 1 120 120 HIS H H 1 7.757 0.02 . 1 . . . . 120 HIS H . 16444 1 1419 . 1 1 120 120 HIS HA H 1 4.421 0.02 . 1 . . . . 120 HIS HA . 16444 1 1420 . 1 1 120 120 HIS HB2 H 1 3.118 0.02 . 1 . . . . 120 HIS HB2 . 16444 1 1421 . 1 1 120 120 HIS HB3 H 1 3.238 0.02 . 1 . . . . 120 HIS HB3 . 16444 1 1422 . 1 1 120 120 HIS C C 13 174.421 0.2 . 1 . . . . 120 HIS C . 16444 1 1423 . 1 1 120 120 HIS CA C 13 59.901 0.2 . 1 . . . . 120 HIS CA . 16444 1 1424 . 1 1 120 120 HIS CB C 13 30.477 0.2 . 1 . . . . 120 HIS CB . 16444 1 1425 . 1 1 120 120 HIS N N 15 119.783 0.2 . 1 . . . . 120 HIS N . 16444 1 1426 . 1 1 121 121 ASP H H 1 9.242 0.02 . 1 . . . . 121 ASP H . 16444 1 1427 . 1 1 121 121 ASP HA H 1 5.090 0.02 . 1 . . . . 121 ASP HA . 16444 1 1428 . 1 1 121 121 ASP HB2 H 1 2.599 0.02 . 1 . . . . 121 ASP HB2 . 16444 1 1429 . 1 1 121 121 ASP HB3 H 1 2.890 0.02 . 1 . . . . 121 ASP HB3 . 16444 1 1430 . 1 1 121 121 ASP C C 13 175.170 0.2 . 1 . . . . 121 ASP C . 16444 1 1431 . 1 1 121 121 ASP CA C 13 52.899 0.2 . 1 . . . . 121 ASP CA . 16444 1 1432 . 1 1 121 121 ASP CB C 13 44.237 0.2 . 1 . . . . 121 ASP CB . 16444 1 1433 . 1 1 121 121 ASP N N 15 119.858 0.2 . 1 . . . . 121 ASP N . 16444 1 1434 . 1 1 122 122 LYS H H 1 8.739 0.02 . 1 . . . . 122 LYS H . 16444 1 1435 . 1 1 122 122 LYS HA H 1 3.887 0.02 . 1 . . . . 122 LYS HA . 16444 1 1436 . 1 1 122 122 LYS HB2 H 1 1.806 0.02 . 1 . . . . 122 LYS HB2 . 16444 1 1437 . 1 1 122 122 LYS HB3 H 1 1.961 0.02 . 1 . . . . 122 LYS HB3 . 16444 1 1438 . 1 1 122 122 LYS HD2 H 1 1.682 0.02 . 1 . . . . 122 LYS HD2 . 16444 1 1439 . 1 1 122 122 LYS HD3 H 1 1.682 0.02 . 1 . . . . 122 LYS HD3 . 16444 1 1440 . 1 1 122 122 LYS HE2 H 1 2.954 0.02 . 1 . . . . 122 LYS HE2 . 16444 1 1441 . 1 1 122 122 LYS HE3 H 1 2.954 0.02 . 1 . . . . 122 LYS HE3 . 16444 1 1442 . 1 1 122 122 LYS HG2 H 1 1.409 0.02 . 1 . . . . 122 LYS HG2 . 16444 1 1443 . 1 1 122 122 LYS HG3 H 1 1.409 0.02 . 1 . . . . 122 LYS HG3 . 16444 1 1444 . 1 1 122 122 LYS C C 13 176.566 0.2 . 1 . . . . 122 LYS C . 16444 1 1445 . 1 1 122 122 LYS CA C 13 59.860 0.2 . 1 . . . . 122 LYS CA . 16444 1 1446 . 1 1 122 122 LYS CB C 13 33.061 0.2 . 1 . . . . 122 LYS CB . 16444 1 1447 . 1 1 122 122 LYS CD C 13 29.513 0.2 . 1 . . . . 122 LYS CD . 16444 1 1448 . 1 1 122 122 LYS CE C 13 41.788 0.2 . 1 . . . . 122 LYS CE . 16444 1 1449 . 1 1 122 122 LYS CG C 13 24.288 0.2 . 1 . . . . 122 LYS CG . 16444 1 1450 . 1 1 122 122 LYS N N 15 127.488 0.2 . 1 . . . . 122 LYS N . 16444 1 1451 . 1 1 123 123 ARG H H 1 8.596 0.02 . 1 . . . . 123 ARG H . 16444 1 1452 . 1 1 123 123 ARG HA H 1 4.125 0.02 . 1 . . . . 123 ARG HA . 16444 1 1453 . 1 1 123 123 ARG HB2 H 1 1.871 0.02 . 1 . . . . 123 ARG HB2 . 16444 1 1454 . 1 1 123 123 ARG HB3 H 1 1.923 0.02 . 1 . . . . 123 ARG HB3 . 16444 1 1455 . 1 1 123 123 ARG HD2 H 1 3.290 0.02 . 1 . . . . 123 ARG HD2 . 16444 1 1456 . 1 1 123 123 ARG HD3 H 1 3.290 0.02 . 1 . . . . 123 ARG HD3 . 16444 1 1457 . 1 1 123 123 ARG HG2 H 1 1.765 0.02 . 1 . . . . 123 ARG HG2 . 16444 1 1458 . 1 1 123 123 ARG HG3 H 1 1.774 0.02 . 1 . . . . 123 ARG HG3 . 16444 1 1459 . 1 1 123 123 ARG C C 13 177.472 0.2 . 1 . . . . 123 ARG C . 16444 1 1460 . 1 1 123 123 ARG CA C 13 58.431 0.2 . 1 . . . . 123 ARG CA . 16444 1 1461 . 1 1 123 123 ARG CB C 13 29.560 0.2 . 1 . . . . 123 ARG CB . 16444 1 1462 . 1 1 123 123 ARG CD C 13 43.013 0.2 . 1 . . . . 123 ARG CD . 16444 1 1463 . 1 1 123 123 ARG CG C 13 26.727 0.2 . 1 . . . . 123 ARG CG . 16444 1 1464 . 1 1 123 123 ARG N N 15 118.684 0.2 . 1 . . . . 123 ARG N . 16444 1 1465 . 1 1 124 124 ASP H H 1 7.091 0.02 . 1 . . . . 124 ASP H . 16444 1 1466 . 1 1 124 124 ASP HA H 1 4.219 0.02 . 1 . . . . 124 ASP HA . 16444 1 1467 . 1 1 124 124 ASP HB2 H 1 2.674 0.02 . 1 . . . . 124 ASP HB2 . 16444 1 1468 . 1 1 124 124 ASP HB3 H 1 3.006 0.02 . 1 . . . . 124 ASP HB3 . 16444 1 1469 . 1 1 124 124 ASP C C 13 175.852 0.2 . 1 . . . . 124 ASP C . 16444 1 1470 . 1 1 124 124 ASP CA C 13 56.854 0.2 . 1 . . . . 124 ASP CA . 16444 1 1471 . 1 1 124 124 ASP CB C 13 40.674 0.2 . 1 . . . . 124 ASP CB . 16444 1 1472 . 1 1 124 124 ASP N N 15 119.689 0.2 . 1 . . . . 124 ASP N . 16444 1 1473 . 1 1 125 125 ALA H H 1 6.879 0.02 . 1 . . . . 125 ALA H . 16444 1 1474 . 1 1 125 125 ALA HA H 1 2.859 0.02 . 1 . . . . 125 ALA HA . 16444 1 1475 . 1 1 125 125 ALA HB1 H 1 1.270 0.02 . 1 . . . . 125 ALA HB1 . 16444 1 1476 . 1 1 125 125 ALA HB2 H 1 1.270 0.02 . 1 . . . . 125 ALA HB2 . 16444 1 1477 . 1 1 125 125 ALA HB3 H 1 1.270 0.02 . 1 . . . . 125 ALA HB3 . 16444 1 1478 . 1 1 125 125 ALA C C 13 177.979 0.2 . 1 . . . . 125 ALA C . 16444 1 1479 . 1 1 125 125 ALA CA C 13 54.303 0.2 . 1 . . . . 125 ALA CA . 16444 1 1480 . 1 1 125 125 ALA CB C 13 18.342 0.2 . 1 . . . . 125 ALA CB . 16444 1 1481 . 1 1 125 125 ALA N N 15 119.696 0.2 . 1 . . . . 125 ALA N . 16444 1 1482 . 1 1 126 126 GLU H H 1 8.064 0.02 . 1 . . . . 126 GLU H . 16444 1 1483 . 1 1 126 126 GLU HA H 1 3.679 0.02 . 1 . . . . 126 GLU HA . 16444 1 1484 . 1 1 126 126 GLU HB2 H 1 2.181 0.02 . 1 . . . . 126 GLU HB2 . 16444 1 1485 . 1 1 126 126 GLU HB3 H 1 1.977 0.02 . 1 . . . . 126 GLU HB3 . 16444 1 1486 . 1 1 126 126 GLU HG2 H 1 2.098 0.02 . 1 . . . . 126 GLU HG2 . 16444 1 1487 . 1 1 126 126 GLU HG3 H 1 2.473 0.02 . 1 . . . . 126 GLU HG3 . 16444 1 1488 . 1 1 126 126 GLU C C 13 178.011 0.2 . 1 . . . . 126 GLU C . 16444 1 1489 . 1 1 126 126 GLU CA C 13 59.898 0.2 . 1 . . . . 126 GLU CA . 16444 1 1490 . 1 1 126 126 GLU CB C 13 29.396 0.2 . 1 . . . . 126 GLU CB . 16444 1 1491 . 1 1 126 126 GLU CG C 13 37.134 0.2 . 1 . . . . 126 GLU CG . 16444 1 1492 . 1 1 126 126 GLU N N 15 117.557 0.2 . 1 . . . . 126 GLU N . 16444 1 1493 . 1 1 127 127 ASP H H 1 8.084 0.02 . 1 . . . . 127 ASP H . 16444 1 1494 . 1 1 127 127 ASP HA H 1 4.295 0.02 . 1 . . . . 127 ASP HA . 16444 1 1495 . 1 1 127 127 ASP HB2 H 1 3.018 0.02 . 1 . . . . 127 ASP HB2 . 16444 1 1496 . 1 1 127 127 ASP HB3 H 1 2.712 0.02 . 1 . . . . 127 ASP HB3 . 16444 1 1497 . 1 1 127 127 ASP C C 13 178.074 0.2 . 1 . . . . 127 ASP C . 16444 1 1498 . 1 1 127 127 ASP CA C 13 57.248 0.2 . 1 . . . . 127 ASP CA . 16444 1 1499 . 1 1 127 127 ASP CB C 13 40.325 0.2 . 1 . . . . 127 ASP CB . 16444 1 1500 . 1 1 127 127 ASP N N 15 120.849 0.2 . 1 . . . . 127 ASP N . 16444 1 1501 . 1 1 128 128 ALA H H 1 8.152 0.02 . 1 . . . . 128 ALA H . 16444 1 1502 . 1 1 128 128 ALA HA H 1 2.754 0.02 . 1 . . . . 128 ALA HA . 16444 1 1503 . 1 1 128 128 ALA HB1 H 1 1.305 0.02 . 1 . . . . 128 ALA HB1 . 16444 1 1504 . 1 1 128 128 ALA HB2 H 1 1.305 0.02 . 1 . . . . 128 ALA HB2 . 16444 1 1505 . 1 1 128 128 ALA HB3 H 1 1.305 0.02 . 1 . . . . 128 ALA HB3 . 16444 1 1506 . 1 1 128 128 ALA C C 13 177.846 0.2 . 1 . . . . 128 ALA C . 16444 1 1507 . 1 1 128 128 ALA CA C 13 54.357 0.2 . 1 . . . . 128 ALA CA . 16444 1 1508 . 1 1 128 128 ALA CB C 13 19.889 0.2 . 1 . . . . 128 ALA CB . 16444 1 1509 . 1 1 128 128 ALA N N 15 122.493 0.2 . 1 . . . . 128 ALA N . 16444 1 1510 . 1 1 129 129 MET H H 1 8.345 0.02 . 1 . . . . 129 MET H . 16444 1 1511 . 1 1 129 129 MET HA H 1 3.686 0.02 . 1 . . . . 129 MET HA . 16444 1 1512 . 1 1 129 129 MET HB2 H 1 2.277 0.02 . 1 . . . . 129 MET HB2 . 16444 1 1513 . 1 1 129 129 MET HB3 H 1 1.931 0.02 . 1 . . . . 129 MET HB3 . 16444 1 1514 . 1 1 129 129 MET HE1 H 1 2.139 0.02 . 1 . . . . 129 MET HE1 . 16444 1 1515 . 1 1 129 129 MET HE2 H 1 2.139 0.02 . 1 . . . . 129 MET HE2 . 16444 1 1516 . 1 1 129 129 MET HE3 H 1 2.139 0.02 . 1 . . . . 129 MET HE3 . 16444 1 1517 . 1 1 129 129 MET HG2 H 1 2.296 0.02 . 1 . . . . 129 MET HG2 . 16444 1 1518 . 1 1 129 129 MET HG3 H 1 2.443 0.02 . 1 . . . . 129 MET HG3 . 16444 1 1519 . 1 1 129 129 MET C C 13 175.961 0.2 . 1 . . . . 129 MET C . 16444 1 1520 . 1 1 129 129 MET CA C 13 59.989 0.2 . 1 . . . . 129 MET CA . 16444 1 1521 . 1 1 129 129 MET CB C 13 33.237 0.2 . 1 . . . . 129 MET CB . 16444 1 1522 . 1 1 129 129 MET CE C 13 16.440 0.2 . 1 . . . . 129 MET CE . 16444 1 1523 . 1 1 129 129 MET CG C 13 31.153 0.2 . 1 . . . . 129 MET CG . 16444 1 1524 . 1 1 129 129 MET N N 15 118.603 0.2 . 1 . . . . 129 MET N . 16444 1 1525 . 1 1 130 130 ASP H H 1 7.749 0.02 . 1 . . . . 130 ASP H . 16444 1 1526 . 1 1 130 130 ASP HA H 1 4.355 0.02 . 1 . . . . 130 ASP HA . 16444 1 1527 . 1 1 130 130 ASP HB2 H 1 2.742 0.02 . 1 . . . . 130 ASP HB2 . 16444 1 1528 . 1 1 130 130 ASP HB3 H 1 2.625 0.02 . 1 . . . . 130 ASP HB3 . 16444 1 1529 . 1 1 130 130 ASP C C 13 176.995 0.2 . 1 . . . . 130 ASP C . 16444 1 1530 . 1 1 130 130 ASP CA C 13 56.923 0.2 . 1 . . . . 130 ASP CA . 16444 1 1531 . 1 1 130 130 ASP CB C 13 41.268 0.2 . 1 . . . . 130 ASP CB . 16444 1 1532 . 1 1 130 130 ASP N N 15 117.093 0.2 . 1 . . . . 130 ASP N . 16444 1 1533 . 1 1 131 131 ALA H H 1 7.351 0.02 . 1 . . . . 131 ALA H . 16444 1 1534 . 1 1 131 131 ALA HA H 1 4.173 0.02 . 1 . . . . 131 ALA HA . 16444 1 1535 . 1 1 131 131 ALA HB1 H 1 1.157 0.02 . 1 . . . . 131 ALA HB1 . 16444 1 1536 . 1 1 131 131 ALA HB2 H 1 1.157 0.02 . 1 . . . . 131 ALA HB2 . 16444 1 1537 . 1 1 131 131 ALA HB3 H 1 1.157 0.02 . 1 . . . . 131 ALA HB3 . 16444 1 1538 . 1 1 131 131 ALA C C 13 179.015 0.2 . 1 . . . . 131 ALA C . 16444 1 1539 . 1 1 131 131 ALA CA C 13 54.086 0.2 . 1 . . . . 131 ALA CA . 16444 1 1540 . 1 1 131 131 ALA CB C 13 20.381 0.2 . 1 . . . . 131 ALA CB . 16444 1 1541 . 1 1 131 131 ALA N N 15 117.777 0.2 . 1 . . . . 131 ALA N . 16444 1 1542 . 1 1 132 132 MET H H 1 8.146 0.02 . 1 . . . . 132 MET H . 16444 1 1543 . 1 1 132 132 MET HA H 1 4.800 0.02 . 1 . . . . 132 MET HA . 16444 1 1544 . 1 1 132 132 MET HB2 H 1 2.037 0.02 . 1 . . . . 132 MET HB2 . 16444 1 1545 . 1 1 132 132 MET HB3 H 1 1.823 0.02 . 1 . . . . 132 MET HB3 . 16444 1 1546 . 1 1 132 132 MET HE1 H 1 1.567 0.02 . 1 . . . . 132 MET HE1 . 16444 1 1547 . 1 1 132 132 MET HE2 H 1 1.567 0.02 . 1 . . . . 132 MET HE2 . 16444 1 1548 . 1 1 132 132 MET HE3 H 1 1.567 0.02 . 1 . . . . 132 MET HE3 . 16444 1 1549 . 1 1 132 132 MET C C 13 176.646 0.2 . 1 . . . . 132 MET C . 16444 1 1550 . 1 1 132 132 MET CA C 13 53.256 0.2 . 1 . . . . 132 MET CA . 16444 1 1551 . 1 1 132 132 MET CB C 13 31.368 0.2 . 1 . . . . 132 MET CB . 16444 1 1552 . 1 1 132 132 MET CE C 13 15.218 0.2 . 1 . . . . 132 MET CE . 16444 1 1553 . 1 1 132 132 MET N N 15 112.363 0.2 . 1 . . . . 132 MET N . 16444 1 1554 . 1 1 133 133 ASP H H 1 7.914 0.02 . 1 . . . . 133 ASP H . 16444 1 1555 . 1 1 133 133 ASP HA H 1 4.435 0.02 . 1 . . . . 133 ASP HA . 16444 1 1556 . 1 1 133 133 ASP HB2 H 1 2.810 0.02 . 1 . . . . 133 ASP HB2 . 16444 1 1557 . 1 1 133 133 ASP HB3 H 1 2.977 0.02 . 1 . . . . 133 ASP HB3 . 16444 1 1558 . 1 1 133 133 ASP C C 13 176.345 0.2 . 1 . . . . 133 ASP C . 16444 1 1559 . 1 1 133 133 ASP CA C 13 57.788 0.2 . 1 . . . . 133 ASP CA . 16444 1 1560 . 1 1 133 133 ASP CB C 13 41.339 0.2 . 1 . . . . 133 ASP CB . 16444 1 1561 . 1 1 133 133 ASP N N 15 120.159 0.2 . 1 . . . . 133 ASP N . 16444 1 1562 . 1 1 134 134 GLY H H 1 8.724 0.02 . 1 . . . . 134 GLY H . 16444 1 1563 . 1 1 134 134 GLY HA2 H 1 3.708 0.02 . 1 . . . . 134 GLY HA2 . 16444 1 1564 . 1 1 134 134 GLY HA3 H 1 4.297 0.02 . 1 . . . . 134 GLY HA3 . 16444 1 1565 . 1 1 134 134 GLY C C 13 172.487 0.2 . 1 . . . . 134 GLY C . 16444 1 1566 . 1 1 134 134 GLY CA C 13 45.733 0.2 . 1 . . . . 134 GLY CA . 16444 1 1567 . 1 1 134 134 GLY N N 15 117.920 0.2 . 1 . . . . 134 GLY N . 16444 1 1568 . 1 1 135 135 ALA H H 1 7.958 0.02 . 1 . . . . 135 ALA H . 16444 1 1569 . 1 1 135 135 ALA HA H 1 4.374 0.02 . 1 . . . . 135 ALA HA . 16444 1 1570 . 1 1 135 135 ALA HB1 H 1 1.504 0.02 . 1 . . . . 135 ALA HB1 . 16444 1 1571 . 1 1 135 135 ALA HB2 H 1 1.504 0.02 . 1 . . . . 135 ALA HB2 . 16444 1 1572 . 1 1 135 135 ALA HB3 H 1 1.504 0.02 . 1 . . . . 135 ALA HB3 . 16444 1 1573 . 1 1 135 135 ALA C C 13 174.900 0.2 . 1 . . . . 135 ALA C . 16444 1 1574 . 1 1 135 135 ALA CA C 13 51.605 0.2 . 1 . . . . 135 ALA CA . 16444 1 1575 . 1 1 135 135 ALA CB C 13 20.116 0.2 . 1 . . . . 135 ALA CB . 16444 1 1576 . 1 1 135 135 ALA N N 15 123.877 0.2 . 1 . . . . 135 ALA N . 16444 1 1577 . 1 1 136 136 VAL H H 1 8.140 0.02 . 1 . . . . 136 VAL H . 16444 1 1578 . 1 1 136 136 VAL HA H 1 4.686 0.02 . 1 . . . . 136 VAL HA . 16444 1 1579 . 1 1 136 136 VAL HB H 1 1.824 0.02 . 1 . . . . 136 VAL HB . 16444 1 1580 . 1 1 136 136 VAL HG11 H 1 0.697 0.02 . 1 . . . . 136 VAL HG11 . 16444 1 1581 . 1 1 136 136 VAL HG12 H 1 0.697 0.02 . 1 . . . . 136 VAL HG12 . 16444 1 1582 . 1 1 136 136 VAL HG13 H 1 0.697 0.02 . 1 . . . . 136 VAL HG13 . 16444 1 1583 . 1 1 136 136 VAL HG21 H 1 0.874 0.02 . 1 . . . . 136 VAL HG21 . 16444 1 1584 . 1 1 136 136 VAL HG22 H 1 0.874 0.02 . 1 . . . . 136 VAL HG22 . 16444 1 1585 . 1 1 136 136 VAL HG23 H 1 0.874 0.02 . 1 . . . . 136 VAL HG23 . 16444 1 1586 . 1 1 136 136 VAL C C 13 175.469 0.2 . 1 . . . . 136 VAL C . 16444 1 1587 . 1 1 136 136 VAL CA C 13 61.603 0.2 . 1 . . . . 136 VAL CA . 16444 1 1588 . 1 1 136 136 VAL CB C 13 32.326 0.2 . 1 . . . . 136 VAL CB . 16444 1 1589 . 1 1 136 136 VAL CG1 C 13 21.109 0.2 . 1 . . . . 136 VAL CG1 . 16444 1 1590 . 1 1 136 136 VAL CG2 C 13 21.950 0.2 . 1 . . . . 136 VAL CG2 . 16444 1 1591 . 1 1 136 136 VAL N N 15 118.631 0.2 . 1 . . . . 136 VAL N . 16444 1 1592 . 1 1 137 137 LEU H H 1 8.934 0.02 . 1 . . . . 137 LEU H . 16444 1 1593 . 1 1 137 137 LEU HA H 1 4.566 0.02 . 1 . . . . 137 LEU HA . 16444 1 1594 . 1 1 137 137 LEU HB2 H 1 1.222 0.02 . 1 . . . . 137 LEU HB2 . 16444 1 1595 . 1 1 137 137 LEU HB3 H 1 1.832 0.02 . 1 . . . . 137 LEU HB3 . 16444 1 1596 . 1 1 137 137 LEU HD11 H 1 0.937 0.02 . 1 . . . . 137 LEU HD11 . 16444 1 1597 . 1 1 137 137 LEU HD12 H 1 0.937 0.02 . 1 . . . . 137 LEU HD12 . 16444 1 1598 . 1 1 137 137 LEU HD13 H 1 0.937 0.02 . 1 . . . . 137 LEU HD13 . 16444 1 1599 . 1 1 137 137 LEU HD21 H 1 0.854 0.02 . 1 . . . . 137 LEU HD21 . 16444 1 1600 . 1 1 137 137 LEU HD22 H 1 0.854 0.02 . 1 . . . . 137 LEU HD22 . 16444 1 1601 . 1 1 137 137 LEU HD23 H 1 0.854 0.02 . 1 . . . . 137 LEU HD23 . 16444 1 1602 . 1 1 137 137 LEU HG H 1 1.459 0.02 . 1 . . . . 137 LEU HG . 16444 1 1603 . 1 1 137 137 LEU C C 13 175.372 0.2 . 1 . . . . 137 LEU C . 16444 1 1604 . 1 1 137 137 LEU CA C 13 54.556 0.2 . 1 . . . . 137 LEU CA . 16444 1 1605 . 1 1 137 137 LEU CB C 13 45.300 0.2 . 1 . . . . 137 LEU CB . 16444 1 1606 . 1 1 137 137 LEU CD1 C 13 24.127 0.2 . 1 . . . . 137 LEU CD1 . 16444 1 1607 . 1 1 137 137 LEU CD2 C 13 26.464 0.2 . 1 . . . . 137 LEU CD2 . 16444 1 1608 . 1 1 137 137 LEU CG C 13 27.898 0.2 . 1 . . . . 137 LEU CG . 16444 1 1609 . 1 1 137 137 LEU N N 15 129.568 0.2 . 1 . . . . 137 LEU N . 16444 1 1610 . 1 1 138 138 ASP H H 1 9.485 0.02 . 1 . . . . 138 ASP H . 16444 1 1611 . 1 1 138 138 ASP HA H 1 4.255 0.02 . 1 . . . . 138 ASP HA . 16444 1 1612 . 1 1 138 138 ASP HB2 H 1 2.264 0.02 . 1 . . . . 138 ASP HB2 . 16444 1 1613 . 1 1 138 138 ASP HB3 H 1 3.102 0.02 . 1 . . . . 138 ASP HB3 . 16444 1 1614 . 1 1 138 138 ASP C C 13 174.644 0.2 . 1 . . . . 138 ASP C . 16444 1 1615 . 1 1 138 138 ASP CA C 13 55.049 0.2 . 1 . . . . 138 ASP CA . 16444 1 1616 . 1 1 138 138 ASP CB C 13 39.914 0.2 . 1 . . . . 138 ASP CB . 16444 1 1617 . 1 1 138 138 ASP N N 15 129.722 0.2 . 1 . . . . 138 ASP N . 16444 1 1618 . 1 1 139 139 GLY H H 1 8.039 0.02 . 1 . . . . 139 GLY H . 16444 1 1619 . 1 1 139 139 GLY HA2 H 1 4.052 0.02 . 1 . . . . 139 GLY HA2 . 16444 1 1620 . 1 1 139 139 GLY HA3 H 1 3.500 0.02 . 1 . . . . 139 GLY HA3 . 16444 1 1621 . 1 1 139 139 GLY C C 13 172.880 0.2 . 1 . . . . 139 GLY C . 16444 1 1622 . 1 1 139 139 GLY CA C 13 45.447 0.2 . 1 . . . . 139 GLY CA . 16444 1 1623 . 1 1 139 139 GLY N N 15 100.618 0.2 . 1 . . . . 139 GLY N . 16444 1 1624 . 1 1 140 140 ARG H H 1 7.530 0.02 . 1 . . . . 140 ARG H . 16444 1 1625 . 1 1 140 140 ARG HA H 1 4.573 0.02 . 1 . . . . 140 ARG HA . 16444 1 1626 . 1 1 140 140 ARG HB2 H 1 1.861 0.02 . 1 . . . . 140 ARG HB2 . 16444 1 1627 . 1 1 140 140 ARG HB3 H 1 1.935 0.02 . 1 . . . . 140 ARG HB3 . 16444 1 1628 . 1 1 140 140 ARG HD2 H 1 3.058 0.02 . 1 . . . . 140 ARG HD2 . 16444 1 1629 . 1 1 140 140 ARG HD3 H 1 3.058 0.02 . 1 . . . . 140 ARG HD3 . 16444 1 1630 . 1 1 140 140 ARG HG2 H 1 1.479 0.02 . 1 . . . . 140 ARG HG2 . 16444 1 1631 . 1 1 140 140 ARG HG3 H 1 1.714 0.02 . 1 . . . . 140 ARG HG3 . 16444 1 1632 . 1 1 140 140 ARG C C 13 173.309 0.2 . 1 . . . . 140 ARG C . 16444 1 1633 . 1 1 140 140 ARG CA C 13 53.718 0.2 . 1 . . . . 140 ARG CA . 16444 1 1634 . 1 1 140 140 ARG CB C 13 33.273 0.2 . 1 . . . . 140 ARG CB . 16444 1 1635 . 1 1 140 140 ARG CD C 13 42.929 0.2 . 1 . . . . 140 ARG CD . 16444 1 1636 . 1 1 140 140 ARG CG C 13 27.029 0.2 . 1 . . . . 140 ARG CG . 16444 1 1637 . 1 1 140 140 ARG N N 15 120.254 0.2 . 1 . . . . 140 ARG N . 16444 1 1638 . 1 1 141 141 GLU H H 1 8.393 0.02 . 1 . . . . 141 GLU H . 16444 1 1639 . 1 1 141 141 GLU HA H 1 4.341 0.02 . 1 . . . . 141 GLU HA . 16444 1 1640 . 1 1 141 141 GLU HB2 H 1 1.894 0.02 . 1 . . . . 141 GLU HB2 . 16444 1 1641 . 1 1 141 141 GLU HB3 H 1 1.789 0.02 . 1 . . . . 141 GLU HB3 . 16444 1 1642 . 1 1 141 141 GLU HG2 H 1 2.066 0.02 . 1 . . . . 141 GLU HG2 . 16444 1 1643 . 1 1 141 141 GLU HG3 H 1 2.148 0.02 . 1 . . . . 141 GLU HG3 . 16444 1 1644 . 1 1 141 141 GLU C C 13 175.158 0.2 . 1 . . . . 141 GLU C . 16444 1 1645 . 1 1 141 141 GLU CA C 13 55.825 0.2 . 1 . . . . 141 GLU CA . 16444 1 1646 . 1 1 141 141 GLU CB C 13 29.939 0.2 . 1 . . . . 141 GLU CB . 16444 1 1647 . 1 1 141 141 GLU CG C 13 36.641 0.2 . 1 . . . . 141 GLU CG . 16444 1 1648 . 1 1 141 141 GLU N N 15 121.179 0.2 . 1 . . . . 141 GLU N . 16444 1 1649 . 1 1 142 142 LEU H H 1 9.383 0.02 . 1 . . . . 142 LEU H . 16444 1 1650 . 1 1 142 142 LEU HA H 1 4.586 0.02 . 1 . . . . 142 LEU HA . 16444 1 1651 . 1 1 142 142 LEU HB2 H 1 2.198 0.02 . 1 . . . . 142 LEU HB2 . 16444 1 1652 . 1 1 142 142 LEU HB3 H 1 1.269 0.02 . 1 . . . . 142 LEU HB3 . 16444 1 1653 . 1 1 142 142 LEU HD11 H 1 0.776 0.02 . 1 . . . . 142 LEU HD11 . 16444 1 1654 . 1 1 142 142 LEU HD12 H 1 0.776 0.02 . 1 . . . . 142 LEU HD12 . 16444 1 1655 . 1 1 142 142 LEU HD13 H 1 0.776 0.02 . 1 . . . . 142 LEU HD13 . 16444 1 1656 . 1 1 142 142 LEU HD21 H 1 0.805 0.02 . 1 . . . . 142 LEU HD21 . 16444 1 1657 . 1 1 142 142 LEU HD22 H 1 0.805 0.02 . 1 . . . . 142 LEU HD22 . 16444 1 1658 . 1 1 142 142 LEU HD23 H 1 0.805 0.02 . 1 . . . . 142 LEU HD23 . 16444 1 1659 . 1 1 142 142 LEU HG H 1 1.968 0.02 . 1 . . . . 142 LEU HG . 16444 1 1660 . 1 1 142 142 LEU C C 13 176.970 0.2 . 1 . . . . 142 LEU C . 16444 1 1661 . 1 1 142 142 LEU CA C 13 55.085 0.2 . 1 . . . . 142 LEU CA . 16444 1 1662 . 1 1 142 142 LEU CB C 13 43.684 0.2 . 1 . . . . 142 LEU CB . 16444 1 1663 . 1 1 142 142 LEU CD1 C 13 22.679 0.2 . 1 . . . . 142 LEU CD1 . 16444 1 1664 . 1 1 142 142 LEU CD2 C 13 25.413 0.2 . 1 . . . . 142 LEU CD2 . 16444 1 1665 . 1 1 142 142 LEU CG C 13 26.279 0.2 . 1 . . . . 142 LEU CG . 16444 1 1666 . 1 1 142 142 LEU N N 15 128.043 0.2 . 1 . . . . 142 LEU N . 16444 1 1667 . 1 1 143 143 ARG H H 1 7.712 0.02 . 1 . . . . 143 ARG H . 16444 1 1668 . 1 1 143 143 ARG HA H 1 5.195 0.02 . 1 . . . . 143 ARG HA . 16444 1 1669 . 1 1 143 143 ARG HB2 H 1 1.720 0.02 . 1 . . . . 143 ARG HB2 . 16444 1 1670 . 1 1 143 143 ARG HB3 H 1 1.882 0.02 . 1 . . . . 143 ARG HB3 . 16444 1 1671 . 1 1 143 143 ARG HD2 H 1 3.283 0.02 . 1 . . . . 143 ARG HD2 . 16444 1 1672 . 1 1 143 143 ARG HD3 H 1 3.283 0.02 . 1 . . . . 143 ARG HD3 . 16444 1 1673 . 1 1 143 143 ARG HG2 H 1 1.652 0.02 . 1 . . . . 143 ARG HG2 . 16444 1 1674 . 1 1 143 143 ARG HG3 H 1 1.652 0.02 . 1 . . . . 143 ARG HG3 . 16444 1 1675 . 1 1 143 143 ARG C C 13 174.601 0.2 . 1 . . . . 143 ARG C . 16444 1 1676 . 1 1 143 143 ARG CA C 13 54.310 0.2 . 1 . . . . 143 ARG CA . 16444 1 1677 . 1 1 143 143 ARG CB C 13 32.314 0.2 . 1 . . . . 143 ARG CB . 16444 1 1678 . 1 1 143 143 ARG CD C 13 43.234 0.2 . 1 . . . . 143 ARG CD . 16444 1 1679 . 1 1 143 143 ARG CG C 13 26.930 0.2 . 1 . . . . 143 ARG CG . 16444 1 1680 . 1 1 143 143 ARG N N 15 121.450 0.2 . 1 . . . . 143 ARG N . 16444 1 1681 . 1 1 144 144 VAL H H 1 9.547 0.02 . 1 . . . . 144 VAL H . 16444 1 1682 . 1 1 144 144 VAL HA H 1 5.151 0.02 . 1 . . . . 144 VAL HA . 16444 1 1683 . 1 1 144 144 VAL HB H 1 1.976 0.02 . 1 . . . . 144 VAL HB . 16444 1 1684 . 1 1 144 144 VAL HG11 H 1 1.016 0.02 . 1 . . . . 144 VAL HG11 . 16444 1 1685 . 1 1 144 144 VAL HG12 H 1 1.016 0.02 . 1 . . . . 144 VAL HG12 . 16444 1 1686 . 1 1 144 144 VAL HG13 H 1 1.016 0.02 . 1 . . . . 144 VAL HG13 . 16444 1 1687 . 1 1 144 144 VAL HG21 H 1 1.067 0.02 . 1 . . . . 144 VAL HG21 . 16444 1 1688 . 1 1 144 144 VAL HG22 H 1 1.067 0.02 . 1 . . . . 144 VAL HG22 . 16444 1 1689 . 1 1 144 144 VAL HG23 H 1 1.067 0.02 . 1 . . . . 144 VAL HG23 . 16444 1 1690 . 1 1 144 144 VAL C C 13 172.512 0.2 . 1 . . . . 144 VAL C . 16444 1 1691 . 1 1 144 144 VAL CA C 13 61.211 0.2 . 1 . . . . 144 VAL CA . 16444 1 1692 . 1 1 144 144 VAL CB C 13 34.528 0.2 . 1 . . . . 144 VAL CB . 16444 1 1693 . 1 1 144 144 VAL CG1 C 13 24.742 0.2 . 1 . . . . 144 VAL CG1 . 16444 1 1694 . 1 1 144 144 VAL CG2 C 13 22.508 0.2 . 1 . . . . 144 VAL CG2 . 16444 1 1695 . 1 1 144 144 VAL N N 15 127.015 0.2 . 1 . . . . 144 VAL N . 16444 1 1696 . 1 1 145 145 GLN H H 1 8.548 0.02 . 1 . . . . 145 GLN H . 16444 1 1697 . 1 1 145 145 GLN HA H 1 4.982 0.02 . 1 . . . . 145 GLN HA . 16444 1 1698 . 1 1 145 145 GLN HB2 H 1 1.990 0.02 . 1 . . . . 145 GLN HB2 . 16444 1 1699 . 1 1 145 145 GLN HB3 H 1 2.097 0.02 . 1 . . . . 145 GLN HB3 . 16444 1 1700 . 1 1 145 145 GLN HE21 H 1 6.843 0.02 . 1 . . . . 145 GLN HE21 . 16444 1 1701 . 1 1 145 145 GLN HE22 H 1 7.602 0.02 . 1 . . . . 145 GLN HE22 . 16444 1 1702 . 1 1 145 145 GLN HG2 H 1 2.159 0.02 . 1 . . . . 145 GLN HG2 . 16444 1 1703 . 1 1 145 145 GLN HG3 H 1 2.364 0.02 . 1 . . . . 145 GLN HG3 . 16444 1 1704 . 1 1 145 145 GLN C C 13 173.534 0.2 . 1 . . . . 145 GLN C . 16444 1 1705 . 1 1 145 145 GLN CA C 13 53.515 0.2 . 1 . . . . 145 GLN CA . 16444 1 1706 . 1 1 145 145 GLN CB C 13 34.008 0.2 . 1 . . . . 145 GLN CB . 16444 1 1707 . 1 1 145 145 GLN CG C 13 33.699 0.2 . 1 . . . . 145 GLN CG . 16444 1 1708 . 1 1 145 145 GLN N N 15 122.228 0.2 . 1 . . . . 145 GLN N . 16444 1 1709 . 1 1 145 145 GLN NE2 N 15 112.129 0.2 . 1 . . . . 145 GLN NE2 . 16444 1 1710 . 1 1 146 146 MET H H 1 8.752 0.02 . 1 . . . . 146 MET H . 16444 1 1711 . 1 1 146 146 MET HA H 1 4.691 0.02 . 1 . . . . 146 MET HA . 16444 1 1712 . 1 1 146 146 MET HB2 H 1 1.984 0.02 . 1 . . . . 146 MET HB2 . 16444 1 1713 . 1 1 146 146 MET HB3 H 1 2.030 0.02 . 1 . . . . 146 MET HB3 . 16444 1 1714 . 1 1 146 146 MET HE1 H 1 1.947 0.02 . 1 . . . . 146 MET HE1 . 16444 1 1715 . 1 1 146 146 MET HE2 H 1 1.947 0.02 . 1 . . . . 146 MET HE2 . 16444 1 1716 . 1 1 146 146 MET HE3 H 1 1.947 0.02 . 1 . . . . 146 MET HE3 . 16444 1 1717 . 1 1 146 146 MET HG2 H 1 2.575 0.02 . 1 . . . . 146 MET HG2 . 16444 1 1718 . 1 1 146 146 MET HG3 H 1 2.670 0.02 . 1 . . . . 146 MET HG3 . 16444 1 1719 . 1 1 146 146 MET C C 13 175.421 0.2 . 1 . . . . 146 MET C . 16444 1 1720 . 1 1 146 146 MET CA C 13 55.990 0.2 . 1 . . . . 146 MET CA . 16444 1 1721 . 1 1 146 146 MET CB C 13 31.927 0.2 . 1 . . . . 146 MET CB . 16444 1 1722 . 1 1 146 146 MET CE C 13 17.053 0.2 . 1 . . . . 146 MET CE . 16444 1 1723 . 1 1 146 146 MET CG C 13 32.299 0.2 . 1 . . . . 146 MET CG . 16444 1 1724 . 1 1 146 146 MET N N 15 122.173 0.2 . 1 . . . . 146 MET N . 16444 1 1725 . 1 1 147 147 ALA H H 1 8.630 0.02 . 1 . . . . 147 ALA H . 16444 1 1726 . 1 1 147 147 ALA HA H 1 4.469 0.02 . 1 . . . . 147 ALA HA . 16444 1 1727 . 1 1 147 147 ALA HB1 H 1 1.367 0.02 . 1 . . . . 147 ALA HB1 . 16444 1 1728 . 1 1 147 147 ALA HB2 H 1 1.367 0.02 . 1 . . . . 147 ALA HB2 . 16444 1 1729 . 1 1 147 147 ALA HB3 H 1 1.367 0.02 . 1 . . . . 147 ALA HB3 . 16444 1 1730 . 1 1 147 147 ALA C C 13 175.720 0.2 . 1 . . . . 147 ALA C . 16444 1 1731 . 1 1 147 147 ALA CA C 13 52.242 0.2 . 1 . . . . 147 ALA CA . 16444 1 1732 . 1 1 147 147 ALA CB C 13 20.206 0.2 . 1 . . . . 147 ALA CB . 16444 1 1733 . 1 1 147 147 ALA N N 15 127.568 0.2 . 1 . . . . 147 ALA N . 16444 1 1734 . 1 1 148 148 ARG H H 1 8.374 0.02 . 1 . . . . 148 ARG H . 16444 1 1735 . 1 1 148 148 ARG HA H 1 4.352 0.02 . 1 . . . . 148 ARG HA . 16444 1 1736 . 1 1 148 148 ARG HB2 H 1 1.698 0.02 . 1 . . . . 148 ARG HB2 . 16444 1 1737 . 1 1 148 148 ARG HB3 H 1 1.751 0.02 . 1 . . . . 148 ARG HB3 . 16444 1 1738 . 1 1 148 148 ARG HD2 H 1 3.139 0.02 . 1 . . . . 148 ARG HD2 . 16444 1 1739 . 1 1 148 148 ARG HD3 H 1 3.139 0.02 . 1 . . . . 148 ARG HD3 . 16444 1 1740 . 1 1 148 148 ARG HG2 H 1 1.524 0.02 . 1 . . . . 148 ARG HG2 . 16444 1 1741 . 1 1 148 148 ARG HG3 H 1 1.524 0.02 . 1 . . . . 148 ARG HG3 . 16444 1 1742 . 1 1 148 148 ARG C C 13 174.477 0.2 . 1 . . . . 148 ARG C . 16444 1 1743 . 1 1 148 148 ARG CA C 13 55.859 0.2 . 1 . . . . 148 ARG CA . 16444 1 1744 . 1 1 148 148 ARG CB C 13 31.301 0.2 . 1 . . . . 148 ARG CB . 16444 1 1745 . 1 1 148 148 ARG CD C 13 43.289 0.2 . 1 . . . . 148 ARG CD . 16444 1 1746 . 1 1 148 148 ARG CG C 13 27.120 0.2 . 1 . . . . 148 ARG CG . 16444 1 1747 . 1 1 148 148 ARG N N 15 120.213 0.2 . 1 . . . . 148 ARG N . 16444 1 1748 . 1 1 149 149 TYR H H 1 8.260 0.02 . 1 . . . . 149 TYR H . 16444 1 1749 . 1 1 149 149 TYR HA H 1 4.512 0.02 . 1 . . . . 149 TYR HA . 16444 1 1750 . 1 1 149 149 TYR HB2 H 1 2.811 0.02 . 1 . . . . 149 TYR HB2 . 16444 1 1751 . 1 1 149 149 TYR HB3 H 1 2.947 0.02 . 1 . . . . 149 TYR HB3 . 16444 1 1752 . 1 1 149 149 TYR HD1 H 1 7.000 0.02 . 3 . . . . 149 TYR HD1 . 16444 1 1753 . 1 1 149 149 TYR HD2 H 1 7.000 0.02 . 3 . . . . 149 TYR HD2 . 16444 1 1754 . 1 1 149 149 TYR HE1 H 1 6.703 0.02 . 3 . . . . 149 TYR HE1 . 16444 1 1755 . 1 1 149 149 TYR HE2 H 1 6.703 0.02 . 3 . . . . 149 TYR HE2 . 16444 1 1756 . 1 1 149 149 TYR C C 13 174.963 0.2 . 1 . . . . 149 TYR C . 16444 1 1757 . 1 1 149 149 TYR CA C 13 57.834 0.2 . 1 . . . . 149 TYR CA . 16444 1 1758 . 1 1 149 149 TYR CB C 13 39.077 0.2 . 1 . . . . 149 TYR CB . 16444 1 1759 . 1 1 149 149 TYR CD1 C 13 133.263 0.2 . 3 . . . . 149 TYR CD1 . 16444 1 1760 . 1 1 149 149 TYR CD2 C 13 133.263 0.2 . 3 . . . . 149 TYR CD2 . 16444 1 1761 . 1 1 149 149 TYR CE1 C 13 118.042 0.2 . 3 . . . . 149 TYR CE1 . 16444 1 1762 . 1 1 149 149 TYR CE2 C 13 118.042 0.2 . 3 . . . . 149 TYR CE2 . 16444 1 1763 . 1 1 149 149 TYR N N 15 121.803 0.2 . 1 . . . . 149 TYR N . 16444 1 1764 . 1 1 150 150 GLY H H 1 8.102 0.02 . 1 . . . . 150 GLY H . 16444 1 1765 . 1 1 150 150 GLY HA2 H 1 3.706 0.02 . 1 . . . . 150 GLY HA2 . 16444 1 1766 . 1 1 150 150 GLY HA3 H 1 3.826 0.02 . 1 . . . . 150 GLY HA3 . 16444 1 1767 . 1 1 150 150 GLY C C 13 172.163 0.2 . 1 . . . . 150 GLY C . 16444 1 1768 . 1 1 150 150 GLY CA C 13 45.072 0.2 . 1 . . . . 150 GLY CA . 16444 1 1769 . 1 1 150 150 GLY N N 15 110.852 0.2 . 1 . . . . 150 GLY N . 16444 1 1770 . 1 1 151 151 ARG H H 1 7.980 0.02 . 1 . . . . 151 ARG H . 16444 1 1771 . 1 1 151 151 ARG HA H 1 4.508 0.02 . 1 . . . . 151 ARG HA . 16444 1 1772 . 1 1 151 151 ARG HB2 H 1 1.622 0.02 . 1 . . . . 151 ARG HB2 . 16444 1 1773 . 1 1 151 151 ARG HB3 H 1 1.734 0.02 . 1 . . . . 151 ARG HB3 . 16444 1 1774 . 1 1 151 151 ARG HD2 H 1 3.097 0.02 . 1 . . . . 151 ARG HD2 . 16444 1 1775 . 1 1 151 151 ARG HD3 H 1 3.097 0.02 . 1 . . . . 151 ARG HD3 . 16444 1 1776 . 1 1 151 151 ARG HG2 H 1 1.546 0.02 . 1 . . . . 151 ARG HG2 . 16444 1 1777 . 1 1 151 151 ARG HG3 H 1 1.546 0.02 . 1 . . . . 151 ARG HG3 . 16444 1 1778 . 1 1 151 151 ARG C C 13 172.806 0.2 . 1 . . . . 151 ARG C . 16444 1 1779 . 1 1 151 151 ARG CA C 13 53.714 0.2 . 1 . . . . 151 ARG CA . 16444 1 1780 . 1 1 151 151 ARG CB C 13 30.415 0.2 . 1 . . . . 151 ARG CB . 16444 1 1781 . 1 1 151 151 ARG CD C 13 43.290 0.2 . 1 . . . . 151 ARG CD . 16444 1 1782 . 1 1 151 151 ARG CG C 13 26.793 0.2 . 1 . . . . 151 ARG CG . 16444 1 1783 . 1 1 151 151 ARG N N 15 121.457 0.2 . 1 . . . . 151 ARG N . 16444 1 1784 . 1 1 152 152 PRO HA H 1 4.637 0.02 . 1 . . . . 152 PRO HA . 16444 1 1785 . 1 1 152 152 PRO HB2 H 1 1.890 0.02 . 1 . . . . 152 PRO HB2 . 16444 1 1786 . 1 1 152 152 PRO HB3 H 1 2.304 0.02 . 1 . . . . 152 PRO HB3 . 16444 1 1787 . 1 1 152 152 PRO HD2 H 1 3.547 0.02 . 1 . . . . 152 PRO HD2 . 16444 1 1788 . 1 1 152 152 PRO HD3 H 1 3.787 0.02 . 1 . . . . 152 PRO HD3 . 16444 1 1789 . 1 1 152 152 PRO HG2 H 1 2.030 0.02 . 1 . . . . 152 PRO HG2 . 16444 1 1790 . 1 1 152 152 PRO HG3 H 1 1.959 0.02 . 1 . . . . 152 PRO HG3 . 16444 1 1791 . 1 1 152 152 PRO CA C 13 61.610 0.2 . 1 . . . . 152 PRO CA . 16444 1 1792 . 1 1 152 152 PRO CB C 13 30.820 0.2 . 1 . . . . 152 PRO CB . 16444 1 1793 . 1 1 152 152 PRO CD C 13 50.629 0.2 . 1 . . . . 152 PRO CD . 16444 1 1794 . 1 1 152 152 PRO CG C 13 27.473 0.2 . 1 . . . . 152 PRO CG . 16444 1 1795 . 1 1 153 153 PRO HA H 1 4.384 0.02 . 1 . . . . 153 PRO HA . 16444 1 1796 . 1 1 153 153 PRO HB2 H 1 1.904 0.02 . 1 . . . . 153 PRO HB2 . 16444 1 1797 . 1 1 153 153 PRO HB3 H 1 2.248 0.02 . 1 . . . . 153 PRO HB3 . 16444 1 1798 . 1 1 153 153 PRO HD2 H 1 3.722 0.02 . 1 . . . . 153 PRO HD2 . 16444 1 1799 . 1 1 153 153 PRO HD3 H 1 3.585 0.02 . 1 . . . . 153 PRO HD3 . 16444 1 1800 . 1 1 153 153 PRO HG2 H 1 1.967 0.02 . 1 . . . . 153 PRO HG2 . 16444 1 1801 . 1 1 153 153 PRO HG3 H 1 1.967 0.02 . 1 . . . . 153 PRO HG3 . 16444 1 1802 . 1 1 153 153 PRO C C 13 175.631 0.2 . 1 . . . . 153 PRO C . 16444 1 1803 . 1 1 153 153 PRO CA C 13 63.232 0.2 . 1 . . . . 153 PRO CA . 16444 1 1804 . 1 1 153 153 PRO CB C 13 31.994 0.2 . 1 . . . . 153 PRO CB . 16444 1 1805 . 1 1 153 153 PRO CD C 13 50.489 0.2 . 1 . . . . 153 PRO CD . 16444 1 1806 . 1 1 153 153 PRO CG C 13 27.397 0.2 . 1 . . . . 153 PRO CG . 16444 1 1807 . 1 1 154 154 ASP H H 1 8.341 0.02 . 1 . . . . 154 ASP H . 16444 1 1808 . 1 1 154 154 ASP HA H 1 4.569 0.02 . 1 . . . . 154 ASP HA . 16444 1 1809 . 1 1 154 154 ASP HB2 H 1 2.656 0.02 . 1 . . . . 154 ASP HB2 . 16444 1 1810 . 1 1 154 154 ASP HB3 H 1 2.656 0.02 . 1 . . . . 154 ASP HB3 . 16444 1 1811 . 1 1 154 154 ASP C C 13 175.321 0.2 . 1 . . . . 154 ASP C . 16444 1 1812 . 1 1 154 154 ASP CA C 13 54.242 0.2 . 1 . . . . 154 ASP CA . 16444 1 1813 . 1 1 154 154 ASP CB C 13 41.198 0.2 . 1 . . . . 154 ASP CB . 16444 1 1814 . 1 1 154 154 ASP N N 15 119.906 0.2 . 1 . . . . 154 ASP N . 16444 1 1815 . 1 1 155 155 SER H H 1 8.127 0.02 . 1 . . . . 155 SER H . 16444 1 1816 . 1 1 155 155 SER HA H 1 4.383 0.02 . 1 . . . . 155 SER HA . 16444 1 1817 . 1 1 155 155 SER HB2 H 1 3.770 0.02 . 1 . . . . 155 SER HB2 . 16444 1 1818 . 1 1 155 155 SER HB3 H 1 3.770 0.02 . 1 . . . . 155 SER HB3 . 16444 1 1819 . 1 1 155 155 SER C C 13 173.345 0.2 . 1 . . . . 155 SER C . 16444 1 1820 . 1 1 155 155 SER CA C 13 58.360 0.2 . 1 . . . . 155 SER CA . 16444 1 1821 . 1 1 155 155 SER CB C 13 63.769 0.2 . 1 . . . . 155 SER CB . 16444 1 1822 . 1 1 155 155 SER N N 15 115.254 0.2 . 1 . . . . 155 SER N . 16444 1 1823 . 1 1 156 156 HIS H H 1 8.331 0.02 . 1 . . . . 156 HIS H . 16444 1 1824 . 1 1 156 156 HIS HA H 1 4.618 0.02 . 1 . . . . 156 HIS HA . 16444 1 1825 . 1 1 156 156 HIS HB2 H 1 2.973 0.02 . 1 . . . . 156 HIS HB2 . 16444 1 1826 . 1 1 156 156 HIS HB3 H 1 2.973 0.02 . 1 . . . . 156 HIS HB3 . 16444 1 1827 . 1 1 156 156 HIS HD2 H 1 6.952 0.02 . 1 . . . . 156 HIS HD2 . 16444 1 1828 . 1 1 156 156 HIS HE1 H 1 7.908 0.02 . 1 . . . . 156 HIS HE1 . 16444 1 1829 . 1 1 156 156 HIS CA C 13 56.178 0.2 . 1 . . . . 156 HIS CA . 16444 1 1830 . 1 1 156 156 HIS CB C 13 30.169 0.2 . 1 . . . . 156 HIS CB . 16444 1 1831 . 1 1 156 156 HIS CD2 C 13 119.646 0.2 . 1 . . . . 156 HIS CD2 . 16444 1 1832 . 1 1 156 156 HIS CE1 C 13 137.788 0.2 . 1 . . . . 156 HIS CE1 . 16444 1 1833 . 1 1 156 156 HIS N N 15 120.979 0.2 . 1 . . . . 156 HIS N . 16444 1 1834 . 1 1 157 157 HIS H H 1 7.104 0.02 . 1 . . . . 157 HIS H . 16444 1 1835 . 1 1 157 157 HIS HA H 1 4.691 0.02 . 1 . . . . 157 HIS HA . 16444 1 1836 . 1 1 157 157 HIS HB2 H 1 3.100 0.02 . 1 . . . . 157 HIS HB2 . 16444 1 1837 . 1 1 157 157 HIS HB3 H 1 3.211 0.02 . 1 . . . . 157 HIS HB3 . 16444 1 1838 . 1 1 157 157 HIS HE1 H 1 7.746 0.02 . 1 . . . . 157 HIS HD2 . 16444 1 1839 . 1 1 157 157 HIS C C 13 173.152 0.2 . 1 . . . . 157 HIS C . 16444 1 1840 . 1 1 157 157 HIS CA C 13 55.838 0.2 . 1 . . . . 157 HIS CA . 16444 1 1841 . 1 1 157 157 HIS CB C 13 30.409 0.2 . 1 . . . . 157 HIS CB . 16444 1 1842 . 1 1 157 157 HIS CE1 C 13 138.715 0.2 . 1 . . . . 157 HIS CD2 . 16444 1 1843 . 1 1 157 157 HIS N N 15 119.686 0.2 . 1 . . . . 157 HIS N . 16444 1 1844 . 1 1 158 158 SER H H 1 8.026 0.02 . 1 . . . . 158 SER H . 16444 1 1845 . 1 1 158 158 SER HA H 1 4.262 0.02 . 1 . . . . 158 SER HA . 16444 1 1846 . 1 1 158 158 SER HB2 H 1 3.857 0.02 . 1 . . . . 158 SER HB2 . 16444 1 1847 . 1 1 158 158 SER HB3 H 1 3.857 0.02 . 1 . . . . 158 SER HB3 . 16444 1 1848 . 1 1 158 158 SER C C 13 177.680 0.2 . 1 . . . . 158 SER C . 16444 1 1849 . 1 1 158 158 SER CA C 13 60.044 0.2 . 1 . . . . 158 SER CA . 16444 1 1850 . 1 1 158 158 SER CB C 13 64.730 0.2 . 1 . . . . 158 SER CB . 16444 1 1851 . 1 1 158 158 SER N N 15 122.894 0.2 . 1 . . . . 158 SER N . 16444 1 stop_ save_